[(5-bromo-2-fluorophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 266638
• Molecular Formular: C7H9BrClFN2
• Molecular Mass: 255.5151632
• Monoisotopic Mass: 253.9621662
• SMILES: c1(c(ccc(c1)Br)F)CNN.Cl
• Canonical SMILES: NNCc1cc(Br)ccc1F.Cl
• InChI: InChI=1S/C7H8BrFN2.ClH/c8-6-1-2-7(9)5(3-6)4-11-10;/h1-3,11H,4,10H2;1H
• InChIKey: SWPDNMFQYVNESQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-fluorophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(5-bromo-2-fluorophenyl)methyl]hydrazine hydrochloride
• Synonyms: [(5-bromo-2-fluorophenyl)methyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD16040021
• PubChem SID: 164322548
• PubChem CID: 47002762

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6962503
• LogD (pH = 7.4): 1.8239166
• Log P: 1.8258134
• Molar Refractivity: 57.3475 cm^3
• Polarizability: 17.591839 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): 1.71

Product Information

• Purity: 95%