6,7-dichloro-2-methyl-3-(trifluoromethyl)quinoxaline

• ChemBase ID: 100033
• Molecular Formular: C10H5Cl2F3N2
• Molecular Mass: 281.0613096
• Monoisotopic Mass: 279.97818819
• SMILES: n1c(c(nc2cc(c(cc12)Cl)Cl)C)C(F)(F)F
• Canonical SMILES: Clc1cc2nc(C)c(nc2cc1Cl)C(F)(F)F
• InChI: InChI=1S/C10H5Cl2F3N2/c1-4-9(10(13,14)15)17-8-3-6(12)5(11)2-7(8)16-4/h2-3H,1H3
• InChIKey: GGGIXFQHHSLMBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-2-methyl-3-(trifluoromethyl)quinoxaline
• IUPAC Traditional name: 6,7-dichloro-2-methyl-3-(trifluoromethyl)quinoxaline
• Synonyms: 6,7-Dichloro-2-methyl-3-(trifluoromethyl)quinoxaline

Database IDs

• CAS Number: 143309-87-9
• MDL Number: MFCD09801054
• PubChem SID: 162086406
• PubChem CID: 10401449

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.902236
• LogD (pH = 7.4): 3.9022367
• Log P: 3.9022367
• Molar Refractivity: 57.2532 cm^3
• Polarizability: 22.827755 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%