5-Chlorothiophene-2-carboxylic acid

• Catalog Number: ACM24065336
• Product Name: 5-Chlorothiophene-2-carboxylic acid
• CAS: 24065-33-6
• Category: Thiophenes
• Synonyms: 2-Thiophenecarboxylic acid, 5-chloro-;5-chlorothiophenecarboxylic acid
• IUPAC Name: 5-chlorothiophene-2-carboxylic acid
• Molecular Weight: 162.59g/mol
• Molecular Formula: C5H3ClO2S
• Canonical SMILES: C1=C(SC(=C1)Cl)C(=O)O
• InChI: InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
• InChI Key: QZLSBOVWPHXCLT-UHFFFAOYSA-N
• Melting Point: 154-158°C
• Appearance: Gray Solid
• Complexity: 128
• Covalently-Bonded Unit Count: 1
• EC Number: 480-060-6;607-311-6
• Exact Mass: 161.954228g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 161.954228g/mol
• NSC Number: 14776
• Rotatable Bond Count: 1
• XLogP3: 2.4