(2-bromo-6-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 93689
• Molecular Formular: C6H7BrClFN2
• Molecular Mass: 241.4885832
• Monoisotopic Mass: 239.94651613
• SMILES: N(c1c(cccc1F)Br)N.Cl
• Canonical SMILES: NNc1c(F)cccc1Br.Cl
• InChI: InChI=1S/C6H6BrFN2.ClH/c7-4-2-1-3-5(8)6(4)10-9;/h1-3,10H,9H2;1H
• InChIKey: UBRQPOGSUUNCBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-6-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (2-bromo-6-fluorophenyl)hydrazine hydrochloride
• Synonyms: 2-Bromo-6-fluorophenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD07368676
• PubChem SID: 162080374
• PubChem CID: 2783128

CALCULATED PROPERTIES

• Acid pKa: 14.664329
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2106142
• LogD (pH = 7.4): 2.2745419
• Log P: 2.2763429
• Molar Refractivity: 43.6039 cm^3
• Polarizability: 15.552832 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant