4-Chloro-2-(propanoylamino)benzoic acid

Base Information

• Chemical Name: 4-Chloro-2-(propanoylamino)benzoic acid
• CAS No.: 274901-75-6
• Molecular Formula: C10H10ClNO3
• Molecular Weight: 227.64
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30361752
• Nikkaji Number: J1.272.976F
• Wikidata: Q82144238
• ChEMBL ID: CHEMBL1367237
• Mol file: 274901-75-6.mol

Synonyms:274901-75-6;4-chloro-2-(propanoylamino)benzoic acid;4-chloro-2-(propionylamino)benzoic acid;4-Chloro-2-propionamidobenzoic acid;MLS000530603;CHEMBL1367237;SCHEMBL12703526;DTXSID30361752;4-Chloro-2-propionamidobenzoicacid;HMS2411J22;MFCD02767009;STK223350;AKOS000127317;2-(Propionylamino)-4-chlorobenzoic acid;SMR000135581;CS-0360350;AN-584/14699163;SR-01000251153;SR-01000251153-1

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

Chemical Property:

• Vapor Pressure: 1.18E-08mmHg at 25°C
• Boiling Point: 443.7°C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 222.2°C
• PSA: 69.89000
• Density: 1.392g/cm³
• LogP: 3.03620
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.0349209
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

95% ^*data from raw suppliers

4-Chloro-2-(propionylamino)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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