(4-bromo-3-fluorophenyl)hydrazine

• ChemBase ID: 180529
• Molecular Formular: C6H6BrFN2
• Molecular Mass: 205.0276432
• Monoisotopic Mass: 203.96983842
• SMILES: N(N)c1cc(c(cc1)Br)F
• Canonical SMILES: NNc1ccc(c(c1)F)Br
• InChI: InChI=1S/C6H6BrFN2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
• InChIKey: LEMDELXPDAYDKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 227015-68-1
• PubChem SID: 164236439
• PubChem CID: 12149225

CALCULATED PROPERTIES

• Acid pKa: 19.809278
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1250029
• LogD (pH = 7.4): 2.2740688
• Log P: 2.2763429
• Molar Refractivity: 43.6039 cm^3
• Polarizability: 15.553583 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true