2-CHLORO-4-FLUOROCINNAMIC ACID

• CAS: 133220-86-7
• Catalog Number: ACM133220867
• Category: Other Products
• Molecular Weight: 200.59
• Molecular Formula: C9H6ClFO2
• Synonyms: 3-Chloro-5-Fluorobenzoic
• IUPAC Name: (E)-3-(2-Chloro-4-fluorophenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=C(C=C1F)Cl)C=CC(=O)O
• InChI: InChI=1S/C9H6ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
• InChI Key: RJCWBTRMWGOREZ-DUXPYHPUSA-N
• Boiling Point: 312.8ºC at 760mmHg
• Melting Point: 245-247 °C
• Flash Point: 143ºC
• Density: 1.3522 g/mL at 25 °C(lit.)
• Appearance: white to light yellow crystal powder
• Exact Mass: 200.0040353
• Hazard Statements: Xi:Harmful
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Isomeric SMILES: C1=CC(=C(C=C1F)Cl)/C=C/C(=O)O
• Monoisotopic Mass: 200.0040353
• Safety Description: S37/39
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 37.3 Ų