2-{[(4-Chloro-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid

Base Information

• Chemical Name: 2-{[(4-Chloro-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
• CAS No.: 89661-17-6
• Molecular Formula: C11H8ClNO4S
• DSSTox Substance ID: DTXSID60534250
• Wikidata: Q82407965

Synonyms:89661-17-6;DTXSID60534250;2-{[(4-Chloro-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid;2-(((4-Chloro-3-oxo-2,3-dihydroisoxazol-5-yl)methyl)thio)benzoic acid

Chemical Property of 2-{[(4-Chloro-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 284.9862566
• Heavy Atom Count: 18
• Complexity: 399

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)SCC2=C(C(=O)NO2)Cl

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