N'-(4-bromophenyl)acetohydrazide

• ChemBase ID: 88488
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: N(c1ccc(cc1)Br)NC(=O)C
• Canonical SMILES: CC(=O)NNc1ccc(cc1)Br
• InChI: InChI=1S/C8H9BrN2O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,1H3,(H,10,12)
• InChIKey: TXIZEHFTRRBEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(4-bromophenyl)acetohydrazide
• IUPAC Traditional name: N'-(4-bromophenyl)acetohydrazide
• Synonyms: N-Acetyl-N'-(4-bromophenyl)hydrazine; Acetic acid N'-(4-bromophenyl)hydrazide; N'-(4-Bromophenyl)acetohydrazide

Database IDs

• CAS Number: 14579-97-6
• PubChem SID: 162075434
• PubChem CID: 615522

CALCULATED PROPERTIES

• Acid pKa: 12.811121
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8406674
• LogD (pH = 7.4): 1.8406659
• Log P: 1.8406674
• Molar Refractivity: 51.7693 cm^3
• Polarizability: 19.219133 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon