2-({[(2,4-Dinitrophenyl)sulfanyl]oxy}methyl)benzoic acid

Base Information

• Chemical Name: 2-({[(2,4-Dinitrophenyl)sulfanyl]oxy}methyl)benzoic acid
• CAS No.: 111751-00-9
• Molecular Formula: C14H10N2O7S
• DSSTox Substance ID: DTXSID80551888
• Wikidata: Q82431777
• Mol file: 111751-00-9.mol

Synonyms:111751-00-9;2-({[(2,4-Dinitrophenyl)sulfanyl]oxy}methyl)benzoic acid;DTXSID80551888

Chemical Property of 2-({[(2,4-Dinitrophenyl)sulfanyl]oxy}methyl)benzoic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 350.02087184
• Heavy Atom Count: 24
• Complexity: 479

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)COSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

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