2-chloro-6,7-difluoroquinoxaline

• ChemBase ID: 273639
• Molecular Formular: C8H3ClF2N2
• Molecular Mass: 200.5726264
• Monoisotopic Mass: 199.99528223
• SMILES: n1c2cc(c(cc2ncc1Cl)F)F
• Canonical SMILES: Clc1cnc2c(n1)cc(c(c2)F)F
• InChI: InChI=1S/C8H3ClF2N2/c9-8-3-12-6-1-4(10)5(11)2-7(6)13-8/h1-3H
• InChIKey: BJQGARNEDBXHQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6,7-difluoroquinoxaline
• IUPAC Traditional name: 2-chloro-6,7-difluoroquinoxaline
• Synonyms: 2-chloro-6,7-difluoroquinoxaline

Database IDs

• MDL Number: MFCD11518958
• PubChem SID: 164329549
• PubChem CID: 10375543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4087038
• LogD (pH = 7.4): 2.408704
• Log P: 2.408704
• Molar Refractivity: 43.7493 cm^3
• Polarizability: 17.425241 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 2.263

Product Information

• Purity: 95%