4-Chlorocinnamaldehyde

Catalog	ACM49678026
CAS	49678-02-6
Structure
Synonyms	4-Chloro-trans-cinnamaldehyde
IUPAC Name	(E)-3-(4-Chlorophenyl)prop-2-enal
Molecular Weight	166.6
Canonical SMILES	C1=CC(=CC=C1C=CC=O)Cl
InChI	InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChI Key	HONRSHHPFBMLBT-OWOJBTEDSA-N
Boiling Point	115 °C
Melting Point	57-63 °C
Purity	95%+
Density	1.192±0.06 g/cm³
Exact Mass	166.0185425
Isomeric SMILES	C1=CC(=CC=C1/C=C/C=O)Cl
Monoisotopic Mass	166.0185425
Physical State	Crystalline
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų