2-(3-Nitro-4-phenylsulfanylbenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(3-Nitro-4-phenylsulfanylbenzoyl)benzoic acid
• CAS No.: 218157-35-8
• Molecular Formula: C20H13NO5S
• DSSTox Substance ID: DTXSID20383928
• Nikkaji Number: J2.601.363A
• Wikidata: Q82175750
• ChEMBL ID: CHEMBL79948
• Mol file: 218157-35-8.mol

Synonyms:2-(3-nitro-4-phenylsulfanylbenzoyl)benzoic acid;218157-35-8;2-(3-Nitro-4-phenylsulfanyl-benzoyl)-benzoic acid;CHEMBL79948;BI-21C7;SCHEMBL5543562;BDBM85275;Kl-105;DTXSID20383928;BDBM50145408;CCG-50201;2-[3-nitro-4-(phenylthio)benzoyl]benzoic acid;SR-01000639597-1

Chemical Property of 2-(3-Nitro-4-phenylsulfanylbenzoyl)benzoic acid

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 379.05144369
• Heavy Atom Count: 27
• Complexity: 557

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

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