4-Chloro-3-(trifluoromethyl)cinnamic acid

Catalog	ACM257872870
CAS	257872-87-0
Structure
Synonyms	3-(4-Chloro-3-(trifluoromethyl)phenyl)acrylic acid
IUPAC Name	(E)-3-[4-Chloro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
Molecular Weight	250.6
Molecular Formula	C10H6ClF3O2
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)O)C(F)(F)F)Cl
InChI	InChI=1S/C10H6ClF3O2/c11-8-3-1-6(2-4-9(15)16)5-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChI Key	LFYBNFKZUWTBMM-DUXPYHPUSA-N
Purity	95%+
Exact Mass	250.0008416
Isomeric SMILES	C1=CC(=C(C=C1/C=C/C(=O)O)C(F)(F)F)Cl
Monoisotopic Mass	250.0008416
Topological Polar Surface Area	37.3 Ų