2,3,5,6-Tetrafluoro-4-mercapto-Benzoic acid

• CAS: 5211-44-9
• Catalog Number: ACM5211449
• Category: Other Products
• Molecular Weight: 226.15
• Molecular Formula: C7H2F4O2S
• Synonyms: 2,3,5,6-Tetrafluoro-4-sulfanyl-benzoic acid
• IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O
• InChI: InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)
• InChI Key: USFMEWZQIHKRDP-UHFFFAOYSA-N
• Melting Point: 151-155℃
• Complexity: 224
• Covalently-Bonded Unit Count: 1
• Exact Mass: 225.971163g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 225.971163g/mol
• NSC Number: 168719
• Physical State: Solid
• Rotatable Bond Count: 1
• XLogP3: 2