5-(Chloromethyl)-7-Phenyl-[1,2]Oxazolo[5,4-e]Pyrimidine-3-Carboxamide
[CAS# 165611-01-8]

Identification

• Name: 5-(Chloromethyl)-7-Phenyl-[1,2]Oxazolo[5,4-e]Pyrimidine-3-Carboxamide
• Synonyms: 5-(Chloromethyl)-7-Phenyl-Isoxazolo[5,4-E]Pyrimidine-3-Carboxamide; 5-(Chloromethyl)-7-Phenyl-3-Isoxazolo[5,4-E]Pyrimidinecarboxamide; 3-Carbamido-5-Chloromethyl-7-Phenylisoxazolo(4,5-D)Pyrimidine
• Molecular Formula: C₁₃H₉ClN₄O₂
• Molecular Weight: 288.69
• CAS Registry Number: 165611-01-8
• SMILES: C3=C(C1=NC(=NC2=C1ON=C2C(=O)N)CCl)C=CC=C3
• InChI: 1S/C13H9ClN4O2/c14-6-8-16-9(7-4-2-1-3-5-7)12-10(17-8)11(13(15)19)18-20-12/h1-5H,6H2,(H2,15,19)
• InChIKey: RGVSDDJPKBSZEO-UHFFFAOYSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 485.719°C at 760 mmHg (Cal.)
• Flash point: 247.554°C (Cal.)