3-(4-Chloro-3-fluoro-phenyl)-acrylic acid

CAS	202982-66-9
Structure
Synonyms	4-Chloro-3-fluorocinnamic acid
IUPAC Name	(E)-3-(4-Chloro-3-fluorophenyl)prop-2-enoic acid
Molecular Weight	200.59
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)F)Cl
InChI	InChI=1S/C9H6ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	MNELKRQRBRYHBV-DUXPYHPUSA-N
Melting Point	241-245 °C
Purity	95%+
Exact Mass	200.0040353
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)F)Cl
Monoisotopic Mass	200.0040353
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų