(Z)-2-(2-bromophenyl)-N'-hydroxyethenimidamide

• ChemBase ID: 53884
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: N(=C(\N)/Cc1ccccc1Br)\O
• Canonical SMILES: O/N=C(/Cc1ccccc1Br)\N
• InChI: InChI=1S/C8H9BrN2O/c9-7-4-2-1-3-6(7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: HXPSBLQTDSPNAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2-(2-bromophenyl)-N'-hydroxyethenimidamide
• IUPAC Traditional name: (Z)-2-(2-bromophenyl)-N'-hydroxyethenimidamide
• Synonyms: 2-(2-Bromophenyl)acetamidoxime

Database IDs

• MDL Number: MFCD09808455
• PubChem SID: 162058647
• PubChem CID: 20114074

CALCULATED PROPERTIES

• Acid pKa: 10.630836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.444609
• LogD (pH = 7.4): 1.6358048
• Log P: 1.6394506
• Molar Refractivity: 50.7544 cm^3
• Polarizability: 19.408663 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%