2,3-dichloro-6,7-dimethylquinoxaline

• ChemBase ID: 75260
• Molecular Formular: C10H8Cl2N2
• Molecular Mass: 227.08992
• Monoisotopic Mass: 226.00645363
• SMILES: n1c(c(nc2cc(c(cc12)C)C)Cl)Cl
• Canonical SMILES: Cc1cc2nc(Cl)c(nc2cc1C)Cl
• InChI: InChI=1S/C10H8Cl2N2/c1-5-3-7-8(4-6(5)2)14-10(12)9(11)13-7/h3-4H,1-2H3
• InChIKey: NKBSIBTVPNHSIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63810-80-0
• MDL Number: MFCD00772734
• PubChem SID: 162040178
• PubChem CID: 4092647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9743648
• LogD (pH = 7.4): 3.9743648
• Log P: 3.9743648
• Molar Refractivity: 59.265 cm^3
• Polarizability: 23.48729 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant