4-Chloro-2-(isobutyrylamino)benzoic acid

Base Information

• Chemical Name: 4-Chloro-2-(isobutyrylamino)benzoic acid
• CAS No.: 405904-57-6
• Molecular Formula: C11H12ClNO3
• Molecular Weight: 241.67
• DSSTox Substance ID: DTXSID20588330
• Wikidata: Q82480939
• Mol file: 405904-57-6.mol

Synonyms:405904-57-6;4-CHLORO-2-(ISOBUTYRYLAMINO)BENZOIC ACID;4-Chloro-2-isobutyramidobenzoic acid;4-chloro-2-(2-methylpropanoylamino)benzoic acid;4-Chloro-2-(2-methylpropanamido)benzoic acid;4-chloro-2-[(2-methylpropanoyl)amino]benzoic acid;DTXSID20588330;4-Chloro-2-isobutyramidobenzoicacid;MFCD02032212;STK520513;AKOS000133300;MCULE-6372868432;4-Chloro-2-(isobutyrylamino)benzoicacid;BS-37908;DB-195443;CS-0366694

Chemical Property of 4-Chloro-2-(isobutyrylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 441.267°C at 760 mmHg
• Flash Point: 220.671°C
• PSA: 69.89000
• Density: 1.34g/cm³
• LogP: 3.28220
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.0505709
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

4-chloro-2-(isobutyrylamino)benzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC1=C(C=CC(=C1)Cl)C(=O)O