((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid

Base Information

• Chemical Name: ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid
• CAS No.: 71735-26-7
• Molecular Formula: C13H12 N2 O5 S
• Molecular Weight: 308.30978
• European Community (EC) Number: 275-938-9
• DSSTox Substance ID: DTXSID40992359
• Wikidata: Q82982476
• Mol file: 71735-26-7.mol

Synonyms:71735-26-7;((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid;EINECS 275-938-9;2-[(2-Methyl-4-nitrophenyl)amino]benzenesulfonic acid;[(2-methyl-4-nitrophenyl)amino]benzenesulphonic acid;DTXSID40992359;2-(2-Methyl-4-nitroanilino)benzene-1-sulfonic acid

Chemical Property of ((2-Methyl-4-nitrophenyl)amino)benzenesulphonic acid

Chemical Property:

• PSA: 120.60000
• Density: 1.493g/cm³
• LogP: 4.57050
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 308.04669266
• Heavy Atom Count: 21
• Complexity: 470

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC=CC=C2S(=O)(=O)O

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