(3-fluoro-5-methoxyphenyl)hydrazine hydrochloride

• ChemBase ID: 237922
• Molecular Formular: C7H10ClFN2O
• Molecular Mass: 192.6185032
• Monoisotopic Mass: 192.04656885
• SMILES: c1(cc(cc(c1)OC)F)NN.Cl
• Canonical SMILES: NNc1cc(OC)cc(c1)F.Cl
• InChI: InChI=1S/C7H9FN2O.ClH/c1-11-7-3-5(8)2-6(4-7)10-9;/h2-4,10H,9H2,1H3;1H
• InChIKey: VRQLJTOYIKMAPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoro-5-methoxyphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-fluoro-5-methoxyphenyl)hydrazine hydrochloride
• Synonyms: (3-fluoro-5-methoxyphenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD22375302
• PubChem SID: 164293832
• PubChem CID: 71756043

CALCULATED PROPERTIES

• Acid pKa: 19.181446
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2063631
• LogD (pH = 7.4): 1.347782
• Log P: 1.3499191
• Molar Refractivity: 42.4443 cm^3
• Polarizability: 15.108625 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): 1.736

Product Information

• Purity: 95%