2-Chloro-5-nitrocinnamic acid

Catalog	ACM36015197
CAS	36015-19-7
Structure
Synonyms	5-Nitro-2-chlorocinnamic acid
IUPAC Name	(E)-3-(2-Chloro-5-nitrophenyl)prop-2-enoic acid
Molecular Weight	227.6
Molecular Formula	C9H6ClNO4
Canonical SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C=CC(=O)O)Cl
InChI	InChI=1S/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key	IHTLKLSRRSWIGD-DAFODLJHSA-N
Melting Point	218-222 °C
Purity	95%+
Density	1.529±0.06 g/cm³
Exact Mass	226.9985354
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C(=O)O)Cl
Monoisotopic Mass	226.9985354
Refractive Index	n20/D 1.600(lit.)
Topological Polar Surface Area	83.1 Ų