2,4-Dichlorocinnamic acid

CAS	20595-45-3 / 1201-99-6
Structure
Synonyms	Trans-2,4-dichlorociamic acid
IUPAC Name	(E)-3-(2,4-Dichlorophenyl)prop-2-enoic acid
Molecular Weight	217.05
Canonical SMILES	C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
InChI	InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	MEBWABJHRAYGFW-DUXPYHPUSA-N
Boiling Point	359.4±27.0 °C
Melting Point	233-235 °C
Purity	95%+
Density	1.457±0.06 g/cm³
Exact Mass	215.9744848
Isomeric SMILES	C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)O
Monoisotopic Mass	215.9744848
Physical State	Powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų