[(2-chloro-6-fluorophenyl)methyl]hydrazine dihydrochloride

• ChemBase ID: 15559
• Molecular Formular: C7H10Cl3FN2
• Molecular Mass: 247.5251032
• Monoisotopic Mass: 245.98935959
• SMILES: c1c(c(c(cc1)F)CNN)Cl.Cl.Cl
• Canonical SMILES: NNCc1c(F)cccc1Cl.Cl.Cl
• InChI: InChI=1S/C7H8ClFN2.2ClH/c8-6-2-1-3-7(9)5(6)4-11-10;;/h1-3,11H,4,10H2;2*1H
• InChIKey: IGZQPEVQJOUSKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-6-fluorophenyl)methyl]hydrazine dihydrochloride
• IUPAC Traditional name: [(2-chloro-6-fluorophenyl)methyl]hydrazine dihydrochloride
• Synonyms: (2-Chloro-6-fluorobenzyl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD06800425
• PubChem SID: 160978866
• PubChem CID: 45074968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5491371
• LogD (pH = 7.4): 1.6595001
• Log P: 1.6611054
• Molar Refractivity: 54.5295 cm^3
• Polarizability: 16.593586 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false