2-BROMO-4-FLUOROCINNAMIC ACID

Catalog	ACM289038171
CAS	289038-17-1
Structure
Synonyms	3-(2-Bromo-4-fluorophenyl)acrylic acid
IUPAC Name	(E)-3-(2-Bromo-4-fluorophenyl)prop-2-enoic acid
Molecular Weight	245.04
Molecular Formula	C9H6BrFO2
Canonical SMILES	C1=CC(=C(C=C1F)Br)C=CC(=O)O
InChI	InChI=1S/C9H6BrFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	KCEJGSKYYLDTNE-DUXPYHPUSA-N
Melting Point	237-238 °C
Purity	98%+
Exact Mass	243.95352
Isomeric SMILES	C1=CC(=C(C=C1F)Br)/C=C/C(=O)O
Monoisotopic Mass	243.95352
Physical State	Powder
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	37.3 Ų