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Acetyl chloride, oxo(phenylamino)- structure
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Acetyl chloride, oxo(phenylamino)-

TL;DR: Acetyl chloride, oxo(phenylamino)- (CAS 121342-36-7) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-anilino-2-oxoacetyl chloride

Also Known As: Anilino(oxo)acetyl chloride, 2-anilino-2-oxoacetyl chloride, Anilino(oxo)acetyl chloride #, oxo(phenylamino)acetyl chloride, oxo-phenylamino-acetyl chloride

CAS Number
121342-36-7
Molecular Formula
C8H6ClNO2
Molecular Weight
183.00871 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (2 patents) Heterocyclic Building Blocks (10 patents) Organic Building Blocks (2 patents) Pharmaceutical Intermediates (22 patents)

Technical Specifications

Molecular FormulaC8H6ClNO2
Molecular Weight183.00871 g/mol
XLogP1.8
Topological Polar Surface Area (TPSA)46.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds2
Exact Mass183.00871 Da
Heavy Atoms12
Complexity187.0
SMILESC1=CC=C(C=C1)NC(=O)C(=O)Cl
InChIKeyCOYSDLRGCXLWQB-UHFFFAOYSA-N

Chemical Property Profile of Acetyl chloride, oxo(phenylamino)-

XLogP
1.8
TPSA (Topological Polar Surface Area)
46.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
12
Complexity
187.0
Exact Mass
183.00871
Monoisotopic Mass
183.00871
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 Acetyl chloride, oxo(phenylamino)-

The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl chloride, oxo(phenylamino)-. With a topological polar surface area (TPSA) of 46.2 Ų, Acetyl chloride, oxo(phenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl chloride, oxo(phenylamino)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Acetyl chloride, oxo(phenylamino)-?

The CAS number of Acetyl chloride, oxo(phenylamino)- is 121342-36-7.

What is the molecular formula of Acetyl chloride, oxo(phenylamino)-?

The molecular formula of Acetyl chloride, oxo(phenylamino)- is C8H6ClNO2.

What is the molecular weight of Acetyl chloride, oxo(phenylamino)-?

The molecular weight of Acetyl chloride, oxo(phenylamino)- is 183.00871 g/mol.

Where can I buy Acetyl chloride, oxo(phenylamino)-?

You can request a quote for Acetyl chloride, oxo(phenylamino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Acetyl chloride, oxo(phenylamino)-?

Yes, CoreyChem provides custom synthesis services for Acetyl chloride, oxo(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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