2-Bromo-5-fluorocinnamic acid

• CAS: 202865-70-1
• Catalog Number: ACM202865701
• Category: Bromine Series
• Molecular Weight: 245.04
• Molecular Formula: C9H6BrFO2
• Synonyms: 3-(2-Bromo-5-fluorophenyl)-2-propenoic acid
• IUPAC Name: (E)-3-(2-Bromo-5-fluorophenyl)prop-2-enoic acid
• Canonical SMILES: C1=CC(=C(C=C1F)C=CC(=O)O)Br
• InChI: InChI=1S/C9H6BrFO2/c10-8-3-2-7(11)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
• InChI Key: AWWFJLNOEZAVHZ-DAFODLJHSA-N
• Boiling Point: 332.0±27.0 °C
• Melting Point: 188-192 °C
• Flash Point: 154.6ºC
• Density: 1.685±0.06 g/cm³
• EC Number: 606-497-6
• Exact Mass: 243.95352
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Isomeric SMILES: C1=CC(=C(C=C1F)/C=C/C(=O)O)Br
• Monoisotopic Mass: 243.95352
• Safety Description: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 37.3 Ų