4-Methyl-2-nitro-3-sulfanylbenzoic acid

Base Information

• Chemical Name: 4-Methyl-2-nitro-3-sulfanylbenzoic acid
• CAS No.: 105278-89-5
• Molecular Formula: C8H7NO4S
• Molecular Weight: 213.214
• DSSTox Substance ID: DTXSID10489802
• Wikidata: Q82333276
• Mol file: 105278-89-5.mol

Synonyms:4-Methyl-2-nitro-3-sulfanylbenzoic acid;105278-89-5;SCHEMBL23699516;DTXSID10489802

Chemical Property of 4-Methyl-2-nitro-3-sulfanylbenzoic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 213.00957888
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

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MSDS Files:

Useful:

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

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