(3-fluoro-2-methylphenyl)hydrazine hydrochloride

• ChemBase ID: 15547
• Molecular Formular: C7H10ClFN2
• Molecular Mass: 176.6191032
• Monoisotopic Mass: 176.05165423
• SMILES: c1cc(c(c(c1)NN)C)F.Cl
• Canonical SMILES: NNc1cccc(c1C)F.Cl
• InChI: InChI=1S/C7H9FN2.ClH/c1-5-6(8)3-2-4-7(5)10-9;/h2-4,10H,9H2,1H3;1H
• InChIKey: WYMVHCGKIMNMEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-2-methylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-fluoro-2-methylphenyl)hydrazine hydrochloride
• Synonyms: (3-Fluoro-2-methylphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD06800755
• PubChem SID: 160978854
• PubChem CID: 44717744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8453728
• LogD (pH = 7.4): 2.018294
• Log P: 2.0210118
• Molar Refractivity: 41.0223 cm^3
• Polarizability: 14.320485 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false