2-Chloro-5-nitrocinnamic acid

• CAS: 36015-19-7
• Catalog Number: ACM36015197
• Category: Other Products
• Molecular Weight: 227.6
• Molecular Formula: C9H6ClNO4
• Synonyms: 5-Nitro-2-chlorocinnamic acid
• IUPAC Name: (E)-3-(2-Chloro-5-nitrophenyl)prop-2-enoic acid
• 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
• 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