BRN 5625880

3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid

CAS: 76752-04-0

Molecular Formula	`C17H12ClNO5`
Molecular Weight	345.7 g/mol
LogP	2.8
Topological Polar Surface Area	83.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	345.0404
Heavy Atoms	24
Complexity	525.0

Chemical Identifiers

CAS Number	76752-04-0
SMILES	`C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)O)Cl`
InChIKey	`KTHMUQHTRNDFEG-UHFFFAOYSA-N`

📖 Product Overview

BRN 5625880 (CAS: 76752-04-0) is a chemical compound with molecular formula C17H12ClNO5 and molecular weight 345.7 g/mol. Its IUPAC systematic name is 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid. LogP 2.8 Topological Polar Surface Area 83.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 345.0404 Heavy Atoms 24 Complexity 525.0 InChI Key: KTHMUQHTRNDFEG-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC(=O)O)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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