6,7-dichloro-2,3-dimethylquinoxaline

• ChemBase ID: 75279
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: n1c(c(nc2cc(c(cc12)Cl)Cl)C)C
• Canonical SMILES: Clc1cc2nc(C)c(nc2cc1Cl)C
• InChI: InChI=1S/C10H8Cl2N2/c1-5-6(2)14-10-4-8(12)7(11)3-9(10)13-5/h3-4H,1-2H3
• InChIKey: XUIDIVNOOAVBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-2,3-dimethylquinoxaline
• IUPAC Traditional name: 6,7-dichloro-2,3-dimethylquinoxaline
• Synonyms: 2,3-Dimethyl-6,7-dichloroquinoxaline

Database IDs

• CAS Number: 52736-71-7
• MDL Number: MFCD00107126
• PubChem SID: 162040197
• PubChem CID: 191258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.769899
• LogD (pH = 7.4): 2.769908
• Log P: 2.769908
• Molar Refractivity: 56.243 cm^3
• Polarizability: 23.344227 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true