Ethyl 4-bromomethylcinnamate

• CAS: 60682-98-6
• Catalog Number: ACM60682986
• Category: Bromine Series
• Molecular Weight: 269.13
• Molecular Formula: C₁₂H₁₃BrO₂
• Synonyms: 3-(4-Brommethyl)-phenylpropenoic acid ethyl ester
• IUPAC Name: Ethyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
• Canonical SMILES: CCOC(=O)C=CC1=CC=C(C=C1)CBr
• InChI: InChI=1S/C12H13BrO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2,9H2,1H3/b8-7+
• InChI Key: ZIRVAUOPXCOSFU-BQYQJAHWSA-N
• Boiling Point: 348 °C
• Flash Point: 164 °C
• Density: 1.370 g/mL at 25 °C(lit.)
• Exact Mass: 268.00989
• Isomeric SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)CBr
• Monoisotopic Mass: 268.00989
• Topological Polar Surface Area: 26.3 Ų