2,6-dichloro-3-hydrazinylquinoxaline

• ChemBase ID: 272454
• Molecular Formular: C8H6Cl2N4
• Molecular Mass: 229.06604
• Monoisotopic Mass: 227.99695157
• SMILES: c1(nc2c(nc1Cl)ccc(c2)Cl)NN
• Canonical SMILES: NNc1nc2cc(Cl)ccc2nc1Cl
• InChI: InChI=1S/C8H6Cl2N4/c9-4-1-2-5-6(3-4)13-8(14-11)7(10)12-5/h1-3H,11H2,(H,13,14)
• InChIKey: UMIBNTAMBAHQPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-hydrazinylquinoxaline
• IUPAC Traditional name: 2,6-dichloro-3-hydrazinylquinoxaline
• Synonyms: 2,6-dichloro-3-hydrazinylquinoxaline

Database IDs

• MDL Number: MFCD00140722
• PubChem SID: 164328364
• PubChem CID: 1473346

CALCULATED PROPERTIES

• Acid pKa: 16.748735
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7090685
• LogD (pH = 7.4): 2.7127426
• Log P: 2.713445
• Molar Refractivity: 58.1415 cm^3
• Polarizability: 22.448923 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.204

Product Information

• Purity: 95%