Ethyl 4-bromomethylcinnamate

Catalog	ACM60682986
CAS	60682-98-6
Structure
Synonyms	3-(4-Brommethyl)-phenylpropenoic acid ethyl ester
IUPAC Name	Ethyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
Molecular Weight	269.13
Molecular Formula	C12H13BrO2
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
Purity	95%+
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