(3-chloro-5-fluorophenyl)hydrazine hydrochloride

• ChemBase ID: 238437
• Molecular Formular: C6H7Cl2FN2
• Molecular Mass: 197.0375832
• Monoisotopic Mass: 195.99703181
• SMILES: c1(cc(cc(c1)Cl)F)NN.Cl
• Canonical SMILES: NNc1cc(F)cc(c1)Cl.Cl
• InChI: InChI=1S/C6H6ClFN2.ClH/c7-4-1-5(8)3-6(2-4)10-9;/h1-3,10H,9H2;1H
• InChIKey: KAAGFZZWLVPZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-5-fluorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-chloro-5-fluorophenyl)hydrazine hydrochloride
• Synonyms: (3-chloro-5-fluorophenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD18393092
• PubChem SID: 164294347
• PubChem CID: 66765060

CALCULATED PROPERTIES

• Acid pKa: 19.14988
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9793434
• LogD (pH = 7.4): 2.1096919
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.500966 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.529

Product Information

• Purity: 95%