(4-chloro-3-fluorophenyl)hydrazine

• ChemBase ID: 285675
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: c1(cc(NN)ccc1Cl)F
• Canonical SMILES: NNc1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H6ClFN2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
• InChIKey: MDOBNCTWLDLXME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-3-fluorophenyl)hydrazine
• IUPAC Traditional name: (4-chloro-3-fluorophenyl)hydrazine
• Synonyms: (4-chloro-3-fluorophenyl)hydrazine

Database IDs

• MDL Number: MFCD11617231
• PubChem SID: 180671206
• PubChem CID: 53413991

CALCULATED PROPERTIES

• Acid pKa: 19.907616
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.961249
• LogD (pH = 7.4): 2.1093779
• Log P: 2.111635
• Molar Refractivity: 40.7859 cm^3
• Polarizability: 14.512588 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%