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

• ChemBase ID: 18342
• Molecular Formular: C7H8ClFN2
• Molecular Mass: 174.6032232
• Monoisotopic Mass: 174.03600417
• SMILES: c1(c(F)cccc1Cl)CNN
• Canonical SMILES: NNCc1c(F)cccc1Cl
• InChI: InChI=1S/C7H8ClFN2/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3,11H,4,10H2
• InChIKey: NKFCYZBTEJQTNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 883546-66-5
• MDL Number: MFCD07786506
• PubChem SID: 160981649
• PubChem CID: 6484230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.549029
• 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