(4-bromo-2,6-dichlorophenyl)hydrazine hydrochloride

• ChemBase ID: 281231
• Molecular Formular: C6H6BrCl3N2
• Molecular Mass: 292.38824
• Monoisotopic Mass: 289.87799324
• SMILES: c1(c(cc(cc1Cl)Br)Cl)NN.Cl
• Canonical SMILES: NNc1c(Cl)cc(cc1Cl)Br.Cl
• InChI: InChI=1S/C6H5BrCl2N2.ClH/c7-3-1-4(8)6(11-10)5(9)2-3;/h1-2,11H,10H2;1H
• InChIKey: NOPWHDDHOTUPLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2,6-dichlorophenyl)hydrazine hydrochloride
• IUPAC Traditional name: (4-bromo-2,6-dichlorophenyl)hydrazine hydrochloride
• Synonyms: (4-bromo-2,6-dichlorophenyl)hydrazine hydrochloride

Database IDs

• MDL Number: MFCD20441607
• PubChem SID: 180666762
• PubChem CID: 54595395

CALCULATED PROPERTIES

• Acid pKa: 15.40091
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.266491
• LogD (pH = 7.4): 3.3404484
• Log P: 3.3417304
• Molar Refractivity: 52.9971 cm^3
• Polarizability: 19.673996 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.999

Product Information

• Purity: 95%