5-Bromo-2-[(2-cyanoethyl)amino]benzoic acid

Base Information

• Chemical Name: 5-Bromo-2-[(2-cyanoethyl)amino]benzoic acid
• CAS No.: 105026-30-0
• Molecular Formula: C10H9BrN2O2
• DSSTox Substance ID: DTXSID60542113
• Wikidata: Q82418651
• Mol file: 105026-30-0.mol

Synonyms:105026-30-0;5-Bromo-2-[(2-cyanoethyl)amino]benzoic acid;DTXSID60542113

Chemical Property of 5-Bromo-2-[(2-cyanoethyl)amino]benzoic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.98474
• Heavy Atom Count: 15
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C(=O)O)NCCC#N