2-chloro-6-fluoroquinoxaline

• ChemBase ID: 67029
• Molecular Formular: C8H4ClFN2
• Molecular Mass: 182.5821632
• Monoisotopic Mass: 182.00470404
• SMILES: n1c(cnc2cc(ccc12)F)Cl
• Canonical SMILES: Fc1ccc2c(c1)ncc(n2)Cl
• InChI: InChI=1S/C8H4ClFN2/c9-8-4-11-7-3-5(10)1-2-6(7)12-8/h1-4H
• InChIKey: QQEWXGTYYUSXII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoroquinoxaline
• IUPAC Traditional name: 2-chloro-6-fluoroquinoxaline
• Synonyms: 2-Chloro-6-fluoroquinoxaline

Database IDs

• CAS Number: 55687-33-7
• MDL Number: MFCD09999192
• PubChem SID: 162032765
• PubChem CID: 12686407

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2660007
• LogD (pH = 7.4): 2.2660022
• Log P: 2.2660022
• Molar Refractivity: 43.5329 cm^3
• Polarizability: 17.665987 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%