2,3-dichloro-6-(trifluoromethoxy)quinoxaline

• ChemBase ID: 294525
• Molecular Formular: C9H3Cl2F3N2O
• Molecular Mass: 283.0341296
• Monoisotopic Mass: 281.95745275
• SMILES: FC(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1
• Canonical SMILES: Clc1nc2ccc(cc2nc1Cl)OC(F)(F)F
• InChI: InChI=1S/C9H3Cl2F3N2O/c10-7-8(11)16-6-3-4(17-9(12,13)14)1-2-5(6)15-7/h1-3H
• InChIKey: RALGVZBIBGREOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1253522-03-0
• MDL Number: MFCD09842521
• PubChem SID: 180680056
• PubChem CID: 59320620

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3786335
• LogD (pH = 7.4): 4.3786335
• Log P: 4.3786335
• Molar Refractivity: 52.2529 cm^3
• Polarizability: 22.011772 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%