3-Cyano-2,4-dinitrobenzoic acid

Base Information

• Chemical Name: 3-Cyano-2,4-dinitrobenzoic acid
• CAS No.: 1291486-31-1
• Molecular Formula: C8H3N3O6
• Molecular Weight: 237.13
• DSSTox Substance ID: DTXSID901297590
• Mol file: 1291486-31-1.mol

Synonyms:3-cyano-2,4-dinitrobenzoic acid;1291486-31-1;Benzoic acid, 3-cyano-2,4-dinitro-;DTXSID901297590;AKOS015959812

Chemical Property of 3-Cyano-2,4-dinitrobenzoic acid

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 237.00218482
• Heavy Atom Count: 17
• Complexity: 402

Purity/Quality:

98%min ^*data from raw suppliers

3-Cyano-2,4-dinitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)[N+](=O)[O-])C#N)[N+](=O)[O-]