(4-bromo-3-methylphenyl)hydrazine

• ChemBase ID: 813149
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NNc1cc(c(cc1)Br)C
• Canonical SMILES: NNc1ccc(c(c1)C)Br
• InChI: InChI=1S/C7H9BrN2/c1-5-4-6(10-9)2-3-7(5)8/h2-4,10H,9H2,1H3
• InChIKey: NCSVEMZXVDRIRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-3-methylphenyl)hydrazine
• IUPAC Traditional name: (4-bromo-3-methylphenyl)hydrazine
• Synonyms: (4-BROMO-3-METHYL-PHENYL)-HYDRAZINE

Database IDs

• CAS Number: 112626-91-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4193888
• LogD (pH = 7.4): 2.6433089
• Log P: 2.6470625
• Molar Refractivity: 48.4287 cm^3
• Polarizability: 17.437042 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%