(2-chloro-6-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 99460
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: N(c1c(cccc1F)Cl)N.Cl
• Canonical SMILES: NNc1c(F)cccc1Cl.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
• InChIKey: IMIGJFNGDJQHMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-chloro-6-fluorophenyl)hydrazine hydrochloride
• Synonyms: 2-Chloro-6-fluorophenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD03094413
• PubChem SID: 162085725
• PubChem CID: 2773730

CALCULATED PROPERTIES

• Acid pKa: 14.218563
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.05216
• LogD (pH = 7.4): 2.109695
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.507214 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant