4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid

Base Information

• Chemical Name: 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid
• CAS No.: 162252-45-1
• Molecular Formula: C9H8 N2 O6
• DSSTox Substance ID: DTXSID30391837
• Nikkaji Number: J677.602G
• Wikidata: Q27097773
• Metabolomics Workbench ID: 151697
• ChEMBL ID: CHEMBL324455
• Mol file: 162252-45-1.mol

Synonyms:4-(acetylamino)-3-hydroxy-5-nitrobenzoic acid;BANA 105;BANA-105;BANA105

Chemical Property of 4-(Acetylamino)-3-hydroxy-5-nitrobenzoic acid

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 240.03823598
• Heavy Atom Count: 17
• Complexity: 339

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1O)C(=O)O)[N+](=O)[O-]