Methyl 3-(4-bromomethyl)cinnamate

Catalog	ACM946996
CAS	946-99-6
Structure
Synonyms	4-Bromomethyl cinnamate
IUPAC Name	Methyl (E)-3-[4-(bromomethyl)phenyl]prop-2-enoate
Molecular Weight	255.11
Molecular Formula	C11H11BrO2
Canonical SMILES	COC(=O)C=CC1=CC=C(C=C1)CBr
InChI	InChI=1S/C11H11BrO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-7H,8H2,1H3/b7-6+
InChI Key	ZSRCGGBALFGALF-VOTSOKGWSA-N
Boiling Point	333.9±22.0 °C
Melting Point	62-63 °C
Flash Point	155.7ºC
Purity	95%+
Density	1.418±0.06 g/cm³
Exact Mass	253.99424
Isomeric SMILES	COC(=O)/C=C/C1=CC=C(C=C1)CBr
Monoisotopic Mass	253.99424
Physical State	Solid
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	26.3 Ų