(2-chloro-6-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 86765
• Molecular Formular: C7H10Cl2N2
• Molecular Mass: 193.0737
• Monoisotopic Mass: 192.02210369
• SMILES: N(c1c(cccc1Cl)C)N.Cl
• Canonical SMILES: NNc1c(C)cccc1Cl.Cl
• InChI: InChI=1S/C7H9ClN2.ClH/c1-5-3-2-4-6(8)7(5)10-9;/h2-4,10H,9H2,1H3;1H
• InChIKey: NKOMRBQXOMJFAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chloro-6-methylphenyl)hydrazine hydrochloride
• Synonyms: 1-(2-chloro-6-methylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD01765408
• PubChem SID: 162073881
• PubChem CID: 2800160

CALCULATED PROPERTIES

• Acid pKa: 18.382597
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3382342
• LogD (pH = 7.4): 2.4802074
• Log P: 2.4823544
• Molar Refractivity: 45.6107 cm^3
• Polarizability: 16.523954 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true