2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid

Base Information

• Chemical Name: 2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid
• CAS No.: 91-27-0
• Molecular Formula: C13H12 N2 O6 S
• Molecular Weight: 324.30918
• European Community (EC) Number: 202-055-8
• DSSTox Substance ID: DTXSID80238349
• Nikkaji Number: J182.077J
• Mol file: 91-27-0.mol

Synonyms:91-27-0;2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid;EINECS 202-055-8;2-[(2-methoxyphenyl)amino]-5-nitrobenzenesulphonic acid;C13H12N2O6S;Benzenesulfonic acid, 2-((2-methoxyphenyl)amino)-5-nitro-;Benzenesulfonic acid, 2-[(2-methoxyphenyl)amino]-5-nitro-;2-[(2-methoxyphenyl)amino]-5-nitrobenzenesulfonic acid;2-(2-methoxyanilino)-5-nitrobenzenesulfonic acid;DTXSID80238349;Benzenesulfonic acid, 2-o-anisidino-5-nitro-;2-[(2-methoxyphenyl)amino]-5-nitrobenzensulfonsyre

Chemical Property of 2-((2-Methoxyphenyl)amino)-5-nitrobenzenesulphonic acid

Chemical Property:

• PSA: 129.83000
• Density: 1.514g/cm³
• LogP: 4.27070
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 324.04160728
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O