(2E)-4-[(3-Chlorophenyl)amino]-4-oxobut-2-enoic acid

CAS: 18196-80-0

Ref. 3D-FC128418

Product Information

• Name: (2E)-4-[(3-Chlorophenyl)amino]-4-oxobut-2-enoic acid
• Synonyms: 2-butenoic acid, 4-[(3-chlorophenyl)amino]-4-oxo-, (2E)-, Maleic acid mono(3-chlorophenyl)amide, (2Z)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoic acid, (2E)-4-[(3-chlorophenyl)amino]-4-oxobut-2-enoate

Description

2-Amino-4-(3-chlorophenyl)butanoic acid (2E)-4-[(3-Chlorophenyl)amino]-4-oxobut-2-enoic acid is a hydrogen bond donor that has the planar molecular conformation. The amide hydrogen bonds in this molecule are stabilized by the phenyl chains and phenyl ring. 2E)-4-[(3-Chlorophenyl)amino]-4-oxobut-2-enoic acid contains one phenyl substituent on the amide nitrogen atom. This molecule has a dihedral angle of 180 degrees and conformational energies of 16.1 kcal/mol, which are consistent with a high degree of stability.

• Brand: Biosynth

Chemical properties

• Molecular weight: 225.63 g/mol
• Formula: C₁₀H₈ClNO₃
• Purity: Min. 95%
• InChI: InChI=1S/C10H8ClNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/b5-4-
• InChI key: InChIKey=VGCOUGYIWJRLKT-PLNGDYQASA-N
• SMILES: O=C(O)/C=C\C(=O)Nc1cccc(Cl)c1