3-Chloro-4-fluorocinnamic acid

CAS	155814-22-5
Structure
Synonyms	3-(3-Chloro-4-fluorophenyl)acrylic acid
IUPAC Name	(E)-3-(3-Chloro-4-fluorophenyl)prop-2-enoic acid
Molecular Weight	200.59
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)Cl)F
InChI	InChI=1S/C9H6ClFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	OYFKFZBXVYKVCD-DUXPYHPUSA-N
Boiling Point	326 °C
Melting Point	173-175 °C
Flash Point	151 °C
Purity	95%+
Density	1.420 g/mL at 25 °C(lit.)
Exact Mass	200.0040353
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)Cl)F
Monoisotopic Mass	200.0040353
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų