2-Chlorovaleric Acid
[CAS# 6155-96-0]

Identification

• Name: 2-Chlorovaleric Acid
• Synonyms: (E)-N-[5-(1-Ethylpropyl)-1,3,4-Thiadiazol-2-Yl]-3-Phenyl-Prop-2-Enamide; (E)-N-[5-(1-Ethylpropyl)-1,3,4-Thiadiazol-2-Yl]-3-Phenylprop-2-Enamide; (E)-N-[5-(1-Ethylpropyl)-1,3,4-Thiadiazol-2-Yl]-3-Phenyl-Acrylamide
• Molecular Formula: C₁₆H₁₉N₃OS
• Molecular Weight: 301.41
• CAS Registry Number: 6155-96-0
• SMILES: C2=C(/C=C/C(=O)NC1=NN=C(S1)C(CC)CC)C=CC=C2
• InChI: 1S/C16H19N3OS/c1-3-13(4-2)15-18-19-16(21-15)17-14(20)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3,(H,17,19,20)/b11-10+
• InChIKey: PNKNIEOLUHOICX-ZHACJKMWSA-N

Properties

• Density: 1.204g/cm³ (Cal.)