2-Chloro-6-fluorocinnamic acid

Catalog	ACM392223
CAS	392-22-3
Structure
Synonyms	3-(2-Chloro-6-fluorophenyl)-2-propenoate
IUPAC Name	(E)-3-(2-Chloro-6-fluorophenyl)prop-2-enoic acid
Molecular Weight	200.59
Molecular Formula	C9H6ClFO2
Canonical SMILES	C1=CC(=C(C(=C1)Cl)C=CC(=O)O)F
InChI	InChI=1S/C9H6ClFO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key	NDWALECYVLNBQG-SNAWJCMRSA-N
Boiling Point	312.8±27.0 °C
Melting Point	165-169 °C
Purity	95%+
Density	1.420±0.06 g/cm³
Exact Mass	200.0040353
Isomeric SMILES	C1=CC(=C(C(=C1)Cl)/C=C/C(=O)O)F
Monoisotopic Mass	200.0040353
Topological Polar Surface Area	37.3 Ų