2-chloro-3-hydrazinylquinoxaline

• ChemBase ID: 239864
• Molecular Formular: C8H7ClN4
• Molecular Mass: 194.62098
• Monoisotopic Mass: 194.03592392
• SMILES: c1(nc2c(nc1Cl)cccc2)NN
• Canonical SMILES: NNc1nc2ccccc2nc1Cl
• InChI: InChI=1S/C8H7ClN4/c9-7-8(13-10)12-6-4-2-1-3-5(6)11-7/h1-4H,10H2,(H,12,13)
• InChIKey: RODNZCIFRICALV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-hydrazinylquinoxaline
• IUPAC Traditional name: 2-chloro-3-hydrazinylquinoxaline
• Synonyms: 2-chloro-3-hydrazinylquinoxaline

Database IDs

• MDL Number: MFCD00168367
• PubChem SID: 164295774
• PubChem CID: 3658820

CALCULATED PROPERTIES

• Acid pKa: 16.808928
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0969992
• LogD (pH = 7.4): 2.1086652
• Log P: 2.1094003
• Molar Refractivity: 53.3367 cm^3
• Polarizability: 20.55816 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.479

Product Information

• Purity: 95%