2-chloro-5-nitroquinoxaline

• ChemBase ID: 292649
• Molecular Formular: C8H4ClN3O2
• Molecular Mass: 209.58926
• Monoisotopic Mass: 208.99920406
• SMILES: [O-][N+](=O)c1cccc2c1ncc(Cl)n2
• Canonical SMILES: Clc1cnc2c(n1)cccc2[N+](=O)[O-]
• InChI: InChI=1S/C8H4ClN3O2/c9-7-4-10-8-5(11-7)2-1-3-6(8)12(13)14/h1-4H
• InChIKey: XYLXKWNSXXAUEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-nitroquinoxaline
• IUPAC Traditional name: 2-chloro-5-nitroquinoxaline
• Synonyms: 2-Chloro-5-nitroquinoxaline

Database IDs

• CAS Number: 55687-01-9
• PubChem SID: 180678180
• PubChem CID: 70701009

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0632844
• LogD (pH = 7.4): 2.0632844
• Log P: 2.0632844
• Molar Refractivity: 49.637 cm^3
• Polarizability: 19.915178 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%