3-[5-(4-Chlorophenyl)-1H-pyrrol-2-yl]propanoic acid
[CAS# 683808-84-6]

Identification

• Name: 3-[5-(4-Chlorophenyl)-1H-pyrrol-2-yl]propanoic acid
• Synonyms: 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoic acid; 3-[5-(4-Chloro-phenyl)-1H-pyrrol-2-yl]-propionic acid; MFCD03827350
• Molecular Formula: C₁₃H₁₂ClNO₂
• Molecular Weight: 249.69
• CAS Registry Number: 683808-84-6
• SMILES: O=C(O)CCc2ccc(c1ccc(Cl)cc1)n2
• InChI: 1S/C13H12ClNO2/c14-10-3-1-9(2-4-10)12-7-5-11(15-12)6-8-13(16)17/h1-5,7,15H,6,8H2,(H,16,17)
• InChIKey: DCUHPFSWWKZTNU-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 451.869°C at 760 mmHg (Cal.)
• Flash point: 227.082°C (Cal.)
• Refractive index: 1.614 (Cal.)