hydrogen (2-chlorophenyl)hydrazine chloride

• ChemBase ID: 293677
• Molecular Formular: C6H7Cl2N2-
• Molecular Mass: 178.03918
• Monoisotopic Mass: 176.99862859
• SMILES: c1cccc(c1NN)Cl.[Cl-]
• Canonical SMILES: NNc1ccccc1Cl.[Cl-]
• InChI: InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H/p-1
• InChIKey: ADODRSVGNHNKAT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen (2-chlorophenyl)hydrazine chloride
• IUPAC Traditional name: hydrogen (2-chlorophenyl)hydrazine chloride
• Synonyms: (2-Chlorophenyl)hydrazine hydrochloride

Database IDs

• CAS Number: 41052-75-9
• MDL Number: MFCD00012928
• PubChem SID: 180679208
• PubChem CID: 60207123

CALCULATED PROPERTIES

• Acid pKa: 18.326193
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8299513
• LogD (pH = 7.4): 1.9668754
• Log P: 1.9689331
• Molar Refractivity: 40.5695 cm^3
• Polarizability: 14.761311 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%