6-Oxido-7-Phenyl-[1,2]Oxazolo[4,5-d]Pyrimidin-6-Ium-3-Carboxamide
[CAS# 165611-04-1]

Identification

• Name: 6-Oxido-7-Phenyl-[1,2]Oxazolo[4,5-d]Pyrimidin-6-Ium-3-Carboxamide
• Synonyms: 6-Oxido-7-Phenyl-Isoxazolo[4,5-D]Pyrimidin-6-Ium-3-Carboxamide; 6-Oxido-7-Phenyl-3-Isoxazolo[4,5-D]Pyrimidin-6-Iumcarboxamide; 3-Carbamido-7-Phenylisoxazolo(4,5-D)Pyrimidine 6-N-Oxide
• Molecular Formula: C₁₂H₈N₄O₃
• Molecular Weight: 256.22
• CAS Registry Number: 165611-04-1
• SMILES: C2=[N+]([O-])C(=C1ON=C(C1=N2)C(=O)N)C3=CC=CC=C3
• InChI: 1S/C12H8N4O3/c13-12(17)9-8-11(19-15-9)10(16(18)6-14-8)7-4-2-1-3-5-7/h1-6H,(H2,13,17)
• InChIKey: FZKFKOYCTUYKFC-UHFFFAOYSA-N

Properties

• Density: 1.618g/cm³ (Cal.)
• Boiling point: 646.579°C at 760 mmHg (Cal.)
• Flash point: 344.839°C (Cal.)