4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid

Base Information

• Chemical Name: 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid
• CAS No.: 6525-41-3
• Molecular Formula: C14H9NO6S
• Molecular Weight: 319.2894
• DSSTox Substance ID: DTXSID80393407
• Wikidata: Q82192170

Synonyms:6525-41-3;ST51029694;Oprea1_242001;SCHEMBL4003277;DTXSID80393407;FVMQSMJTJFRWBR-UHFFFAOYSA-N;AKOS002137982;NCGC00320125-01;4-(2-Carboxyphenylthio)-3-nitrobenzoic acid;EU-0030113;AB01316921-02;SR-01000102804;4-(2-carboxy-phenylsulfanyl)-3-nitro-benzoic acid;4-[(2-carboxyphenyl)sulfanyl]-3-nitrobenzoic acid;SR-01000102804-1

Chemical Property of 4-(2-Carboxy-phenylsulfanyl)-3-nitro-benzoic acid

Chemical Property:

• Vapor Pressure: 6.15E-12mmHg at 25°C
• Boiling Point: 527.1°Cat760mmHg
• Flash Point: 272.6°C
• Density: 1.62g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 319.01505818
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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