[(3-fluorophenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 239622
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: N(N)Cc1cc(F)ccc1.Cl
• Canonical SMILES: NNCc1cccc(c1)F.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4,10H,5,9H2;1H
• InChIKey: KBBOILOLFWOADT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluorophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(3-fluorophenyl)methyl]hydrazine hydrochloride
• Synonyms: [(3-fluorophenyl)methyl]hydrazine hydrochloride

Database IDs

• MDL Number: MFCD12031963
• PubChem SID: 164295532
• PubChem CID: 71756444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8792763
• LogD (pH = 7.4): 1.0543028
• Log P: 1.0570607
• Molar Refractivity: 49.7247 cm^3
• Polarizability: 14.672323 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.847

Product Information

• Purity: 95%