Methyl 3-amino-6-fluoro-2-sulfanylbenzoate

Base Information

• Chemical Name: Methyl 3-amino-6-fluoro-2-sulfanylbenzoate
• CAS No.: 192948-04-2
• Molecular Formula: C8H8FNO2S
• Molecular Weight: 201.2180232
• DSSTox Substance ID: DTXSID70573493
• Wikidata: Q82462230
• Mol file: 192948-04-2.mol

Synonyms:192948-04-2;Methyl 3-amino-6-fluoro-2-sulfanylbenzoate;Benzoic acid, 3-amino-6-fluoro-2-mercapto-, methyl ester (9CI);DTXSID70573493

Chemical Property of Methyl 3-amino-6-fluoro-2-sulfanylbenzoate

Chemical Property:

• PSA: 91.12000
• LogP: 2.06440
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.02597783
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1S)N)F

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