(3-bromophenyl)hydrazine

• ChemBase ID: 813136
• Molecular Formular: C6H7BrN2
• Molecular Mass: 187.03718
• Monoisotopic Mass: 185.97926023
• SMILES: NNc1cc(ccc1)Br
• Canonical SMILES: NNc1cccc(c1)Br
• InChI: InChI=1S/C6H7BrN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2
• InChIKey: PESJTQQZJJTNOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromophenyl)hydrazine
• IUPAC Traditional name: (3-bromophenyl)hydrazine
• Synonyms: 3-BROMOPHENYLHYDRAZINE

Database IDs

• CAS Number: 40887-80-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9405508
• LogD (pH = 7.4): 2.1305895
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.693478 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%