2-chloro-3-ethylquinoxaline

• ChemBase ID: 53440
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: n1c(c(nc2c1cccc2)CC)Cl
• Canonical SMILES: CCc1nc2ccccc2nc1Cl
• InChI: InChI=1S/C10H9ClN2/c1-2-7-10(11)13-9-6-4-3-5-8(9)12-7/h3-6H,2H2,1H3
• InChIKey: MTHNWHRBVIADBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-ethylquinoxaline
• IUPAC Traditional name: 2-chloro-3-ethylquinoxaline
• Synonyms: 2-Chloro-3-ethylquinoxaline

Database IDs

• CAS Number: 77186-62-0
• MDL Number: MFCD00052599
• PubChem SID: 162058203
• PubChem CID: 2779536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9551816
• LogD (pH = 7.4): 2.955206
• Log P: 2.9552062
• Molar Refractivity: 52.5349 cm^3
• Polarizability: 21.605701 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 42 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%