Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester
• CAS No.: 135813-46-6
• Molecular Formula: C17H16 Cl N O3
• Molecular Weight: 317.77
• DSSTox Substance ID: DTXSID10159573
• Wikidata: Q83027932
• ChEMBL ID: CHEMBL318377
• Mol file: 135813-46-6.mol

Synonyms:135813-46-6;Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester;propan-2-yl 5-benzamido-2-chlorobenzoate;CHEMBL318377;SCHEMBL9198085;DTXSID10159573;BENZOIC ACID,5-(BENZOYLAMINO)-2-CHLORO-, 1-METHYLETHYL ESTER;AKOS005155202;isopropyl 5-benzamido-2-chloro-benzoate;Benzoic acid,5-(benzoylamino)-2-chloro-,1-methylethyl ester;2-Chloro-5-[(1-phenyl-methanoyl)-amino]-benzoic acid, isopropyl ester

Chemical Property of Benzoic acid, 5-(benzoylamino)-2-chloro-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 7.89E-06mmHg at 25°C
• Boiling Point: 375.2°Cat760mmHg
• Flash Point: 180.7°C
• PSA: 58.89000
• Density: 1.263g/cm³
• LogP: 4.54150
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 317.0818711
• Heavy Atom Count: 22
• Complexity: 393

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)Cl