[(4-fluoro-3-methoxyphenyl)methyl]hydrazine hydrochloride

• ChemBase ID: 100706
• Molecular Formular: C8H12ClFN2O
• Molecular Mass: 206.6450832
• Monoisotopic Mass: 206.06221891
• SMILES: O(c1c(ccc(c1)CNN)F)C.Cl
• Canonical SMILES: NNCc1ccc(c(c1)OC)F.Cl
• InChI: InChI=1S/C8H11FN2O.ClH/c1-12-8-4-6(5-11-10)2-3-7(8)9;/h2-4,11H,5,10H2,1H3;1H
• InChIKey: GVYRNDSQBNXJFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluoro-3-methoxyphenyl)methyl]hydrazine hydrochloride
• IUPAC Traditional name: [(4-fluoro-3-methoxyphenyl)methyl]hydrazine hydrochloride
• Synonyms: (3-Methoxy-4-fluorobenzyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD08458143
• PubChem SID: 162087358
• PubChem CID: 44717745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7175248
• LogD (pH = 7.4): 0.8965543
• Log P: 0.8993895
• Molar Refractivity: 56.1879 cm^3
• Polarizability: 17.210503 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant