2,4,5-TRIFLUOROCINNAMIC ACID

• CAS: 247170-17-8
• Catalog Number: ACM247170178
• Category: Other Products
• Molecular Weight: 202.13
• Molecular Formula: C9H5F3O2
• Synonyms: 3-(2,4,5-Trifluoro-phenyl)-acrylic acid
• IUPAC Name: (E)-3-(2,4,5-Trifluorophenyl)prop-2-enoic acid
• Canonical SMILES: C1=C(C(=CC(=C1F)F)F)C=CC(=O)O
• InChI: InChI=1S/C9H5F3O2/c10-6-4-8(12)7(11)3-5(6)1-2-9(13)14/h1-4H,(H,13,14)/b2-1+
• InChI Key: KFVQEUPEGKJFCW-OWOJBTEDSA-N
• Boiling Point: 271.0±35.0 °C
• Melting Point: 187-189 °C
• Flash Point: 117.7ºC
• Density: 1.468±0.06 g/cm³
• Exact Mass: 202.02416388
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Isomeric SMILES: C1=C(C(=CC(=C1F)F)F)/C=C/C(=O)O
• Monoisotopic Mass: 202.02416388
• Safety Description: 26-36
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 37.3 Ų