4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid

Base Information

• Chemical Name: 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid
• CAS No.: 7006-77-1
• Molecular Formula: C21H16N4O8
• Molecular Weight: 452.3737
• DSSTox Substance ID: DTXSID20412580
• Wikidata: Q82220015
• Mol file: 7006-77-1.mol

Synonyms:7006-77-1;DTXSID20412580;4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid;AKOS002685161

Chemical Property of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid

Chemical Property:

• Vapor Pressure: 1.19E-14mmHg at 25°C
• Boiling Point: 587.6°Cat760mmHg
• Flash Point: 309.2°C
• Density: 1.535g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 452.09681348
• Heavy Atom Count: 33
• Complexity: 699

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]