N-[(7-Chloro-1-cyano-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
[CAS# 945739-70-8]

Identification

• Name: N-[(7-Chloro-1-cyano-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
• Synonyms: 2-(7-chloro-1-cyano-4-hydroxyisoquinoline-3-carboxamido)acetic acid
• Molecular Formula: C₁₃H₈ClN₃O₄
• Molecular Weight: 305.67
• CAS Registry Number: 945739-70-8
• SMILES: c1cc2c(cc1Cl)c(nc(c2O)C(=O)NCC(=O)O)C#N
• InChI: 1S/C13H8ClN3O4/c14-6-1-2-7-8(3-6)9(4-15)17-11(12(7)20)13(21)16-5-10(18)19/h1-3,20H,5H2,(H,16,21)(H,18,19)
• InChIKey: SDHQACBELYIDMP-UHFFFAOYSA-N

Properties

• Density: 1.67g/cm³ (Cal.)
• Boiling point: 760.201°C at 760 mmHg (Cal.)
• Flash point: 413.555°C (Cal.)
• Refractive index: 1.72 (Cal.)