4-chloroimidazo[1,2-a]quinoxaline

• ChemBase ID: 117082
• Molecular Formular: C10H6ClN3
• Molecular Mass: 203.62774
• Monoisotopic Mass: 203.02502489
• SMILES: n12c(c(nc3c1cccc3)Cl)ncc2
• Canonical SMILES: Clc1nc2ccccc2n2c1ncc2
• InChI: InChI=1S/C10H6ClN3/c11-9-10-12-5-6-14(10)8-4-2-1-3-7(8)13-9/h1-6H
• InChIKey: RYNAIJUDTQWFSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloroimidazo[1,2-a]quinoxaline
• IUPAC Traditional name: 4-chloroimidazo[1,2-a]quinoxaline
• Synonyms: 4-chloroimidazo[1,2-a]quinoxaline

Database IDs

• MDL Number: MFCD15144572
• PubChem SID: 162102128
• PubChem CID: 10774525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7701049
• LogD (pH = 7.4): 1.770818
• Log P: 1.770827
• Molar Refractivity: 55.6013 cm^3
• Polarizability: 21.858484 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.032

Product Information

• Purity: 95+%