4-Chloro-3-(trifluoromethyl)cinnamic acid

• Catalog Number: ACM257872870
• Product Name: 4-Chloro-3-(trifluoromethyl)cinnamic acid
• CAS: 257872-87-0
• Category: Heterocyclic Organic Compound
• Synonyms: 3-(4-Chloro-3-(trifluoromethyl)phenyl)acrylic acid
• IUPAC Name: (E)-3-[4-Chloro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
• Molecular Weight: 250.6
• Molecular Formula: C₁₀H₆ClF₃O₂
• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)O)C(F)(F)F)Cl
• InChI: InChI=1S/C10H6ClF3O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
• InChI Key: LFYBNFKZUWTBMM-DUXPYHPUSA-N
• Exact Mass: 250.0008416
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)C(F)(F)F)Cl
• Monoisotopic Mass: 250.0008416
• Topological Polar Surface Area: 37.3 Ų