1-(4-fluoro-3-nitrophenyl)-2$l^{4}-triaza-1,2-diene

• ChemBase ID: 105020
• Molecular Formular: C6H4FN4O2
• Molecular Mass: 183.1199632
• Monoisotopic Mass: 183.03182861
• SMILES: [O-][N+](=O)c1cc(ccc1F)N=[N]=N
• Canonical SMILES: N=[N]=Nc1ccc(c(c1)[N+](=O)[O-])F
• InChI: InChI=1S/C6H4FN4O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13/h1-3,8H
• InChIKey: QTMDTLMNMGVZBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluoro-3-nitrophenyl)-2$l^{4}-triaza-1,2-diene
• IUPAC Traditional name: 1-(4-fluoro-3-nitrophenyl)-2$l^{4}-triaza-1,2-diene
• Synonyms: 4-FLUORO-3-NITROPHENYL AZIDE

Database IDs

• CAS Number: 28166-06-5
• PubChem SID: 162091852
• PubChem CID: 6333561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 45.0084 cm^3
• Polar Surface Area: 82.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false