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N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide structure
Fine Chemical

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

TL;DR: N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide (CAS 528834-58-4) is a chemical compound with molecular formula C20H10ClF2N3O4 and molecular weight 429.03278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

Also Known As: N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide, N-(2-(2-chloro-4,5-difluorophenyl)benzo[d]oxazol-5-yl)-4-nitrobenzamide, N-[2-(2-chloro-4,5-difluoro-phenyl)benzooxazol-5-yl]-4-nitro-benzamide

CAS Number
528834-58-4
Molecular Formula
C20H10ClF2N3O4
Molecular Weight
429.03278 g/mol
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Technical Specifications

Molecular FormulaC20H10ClF2N3O4
Molecular Weight429.03278 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)101.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds3
Exact Mass429.03278 Da
Heavy Atoms30
Complexity646.0
SMILESC1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4Cl)F)F)[N+](=O)[O-]
InChIKeyPWLRPTWDUJWMFY-UHFFFAOYSA-N

Product Description

Applications: N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide (CAS 528834-58-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is a fine chemical identified by CAS number 528834-58-4 and the molecular formula C20H10ClF2N3O4 and a molecular weight of 429.03 g/mol. It is also known as N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide and N-(2-(2-chloro-4,5-difluorophenyl)benzo[d]oxazol-5-yl)-4-nitrobenzamide.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

XLogP
4.9
TPSA (Topological Polar Surface Area)
101.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
3
Heavy Atoms
30
Complexity
646.0
Exact Mass
429.03278
Monoisotopic Mass
429.03278
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide

The XLogP value of 4.9 indicates that N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

The CAS number of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is 528834-58-4.

What is the molecular formula of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

The molecular formula of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is C20H10ClF2N3O4.

What is the molecular weight of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

The molecular weight of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is 429.03278 g/mol.

What are the applications of N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide (CAS...

Where can I buy N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

You can request a quote for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?

Yes, CoreyChem provides custom synthesis services for N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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