5-nitroquinoxaline

• ChemBase ID: 813537
• Molecular Formular: C8H5N3O2
• Molecular Mass: 175.1442
• Monoisotopic Mass: 175.03817642
• SMILES: c1cc2c(c(c1)[N+](=O)[O-])nccn2
• Canonical SMILES: [O-][N+](=O)c1cccc2c1nccn2
• InChI: InChI=1S/C8H5N3O2/c12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-5H
• InChIKey: WZBOWHSZOCPDMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitroquinoxaline
• IUPAC Traditional name: 5-nitroquinoxaline
• Synonyms: 5-NITROQUINOXALINE

Database IDs

• CAS Number: 18514-76-6

CALCULATED PROPERTIES

• Polarizability: 17.927496 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2390624
• LogD (pH = 7.4): 1.2390625
• Log P: 1.2390625
• Molar Refractivity: 43.7709 cm^3

PROPERTIES

Product Information

• Purity: 98%