3-Bromocinnamaldehyde

Catalog	ACM97985665
CAS	97985-66-5
Structure
Synonyms	Trans-3-Bromocinnamaldehyde
IUPAC Name	(E)-3-(3-Bromophenyl)prop-2-enal
Molecular Weight	211.05
Molecular Formula	C9H7BrO
Canonical SMILES	C1=CC(=CC(=C1)Br)C=CC=O
InChI	InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
InChI Key	QICJGJJHIQBWJR-DUXPYHPUSA-N
Boiling Point	309.7±25.0 °C
Purity	95%+
Density	1.466±0.06 g/cm³
Exact Mass	209.96803
Isomeric SMILES	C1=CC(=CC(=C1)Br)/C=C/C=O
Monoisotopic Mass	209.96803
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų