4-[[(E)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid

Base Information

• Chemical Name: 4-[[(E)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid
• CAS No.: 6965-96-4
• Molecular Formula: C10H8 Cl N O3
• Molecular Weight: 225.6284
• NSC Number: 18697
• DSSTox Substance ID: DTXSID40417850
• Wikidata: Q82228063
• Mol file: 6965-96-4.mol

Synonyms:NSC18697;6965-96-4;DTXSID40417850;NSC-18697

Chemical Property of 4-[[(E)-2-chloro-3-oxoprop-1-enyl]amino]benzoic acid

Chemical Property:

• Vapor Pressure: 3.45E-07mmHg at 25°C
• Boiling Point: 402.1°C at 760 mmHg
• Flash Point: 197°C
• Density: 1.441g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 225.0192708
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)NC=C(C=O)Cl
• Isomeric SMILES: C1=CC(=CC=C1C(=O)O)N/C=C(\C=O)/Cl