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

• ChemBase ID: 24056
• Molecular Formular: C7H9Cl2FN2
• Molecular Mass: 211.0641632
• Monoisotopic Mass: 210.01268188
• SMILES: c1(c(cccc1Cl)F)CNN.Cl
• Canonical SMILES: NNCc1c(F)cccc1Cl.Cl
• InChI: InChI=1S/C7H8ClFN2.ClH/c8-6-2-1-3-7(9)5(6)4-11-10;/h1-3,11H,4,10H2;1H
• InChIKey: FMVSHHBIGQERBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-6-fluorophenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(2-chloro-6-fluorophenyl)methyl]hydrazine hydrochloride
• Synonyms: (2-Chloro-6-fluorobenzyl)hydrazine hydrochloride; (2-Chloro-6-fluoro-benzyl)-hydrazine hydrochloride

Database IDs

• MDL Number: MFCD08458140
• PubChem SID: 160987363
• PubChem CID: 44717748

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: Corrosive/Store Cold; IRRITANT
• TSCA Listed: false