3-(2,5-Dichlorophenyl)acrylic acid

CAS	20595-47-5
Structure
Synonyms	Trans-2,5-dichlorocinnamic acid
IUPAC Name	(E)-3-(2,5-Dichlorophenyl)prop-2-enoic acid
Molecular Weight	217.05
Canonical SMILES	C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl
InChI	InChI=1S/C9H6Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key	LYYBVUOVYNSRSE-DAFODLJHSA-N
Boiling Point	357.6±32.0 °C
Melting Point	192-194 °C
Purity	95%+
Density	1.457±0.06 g/cm³
Exact Mass	215.9744848
Isomeric SMILES	C1=CC(=C(C=C1Cl)/C=C/C(=O)O)Cl
Monoisotopic Mass	215.9744848
Physical State	Powder
Topological Polar Surface Area	37.3 Ų