2-CHLORO-4-FLUOROCINNAMIC ACID

Catalog	ACM133220867
CAS	133220-86-7
Structure
Synonyms	3-Chloro-5-Fluorobenzoic
IUPAC Name	(E)-3-(2-Chloro-4-fluorophenyl)prop-2-enoic acid
Molecular Weight	200.59
Molecular Formula	C9H6ClFO2
Canonical SMILES	C1=CC(=C(C=C1F)Cl)C=CC(=O)O
InChI	InChI=1S/C9H6ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	RJCWBTRMWGOREZ-DUXPYHPUSA-N
Boiling Point	312.8ºC at 760mmHg
Melting Point	245-247 °C
Flash Point	143ºC
Purity	95%+
Density	1.3522 g/mL at 25 °C(lit.)
Appearance	white to light yellow crystal powder
Exact Mass	200.0040353
Isomeric SMILES	C1=CC(=C(C=C1F)Cl)/C=C/C(=O)O
Monoisotopic Mass	200.0040353
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	37.3 Ų