(Z)-2-(2-chlorophenyl)-N'-hydroxyethenimidamide hydrochloride

• ChemBase ID: 259920
• Molecular Formular: C8H10Cl2N2O
• Molecular Mass: 221.0838
• Monoisotopic Mass: 220.01701831
• SMILES: C(=N\O)(/Cc1c(Cl)cccc1)\N.Cl
• Canonical SMILES: O/N=C(/Cc1ccccc1Cl)\N.Cl
• InChI: InChI=1S/C8H9ClN2O.ClH/c9-7-4-2-1-3-6(7)5-8(10)11-12;/h1-4,12H,5H2,(H2,10,11);1H
• InChIKey: QOGKHBFDYOJPLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2-(2-chlorophenyl)-N'-hydroxyethenimidamide hydrochloride
• IUPAC Traditional name: (Z)-2-(2-chlorophenyl)-N'-hydroxyethenimidamide hydrochloride
• Synonyms: 2-(2-chlorophenyl)-N'-hydroxyethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD12197071
• PubChem SID: 164315830
• PubChem CID: 42943449

CALCULATED PROPERTIES

• Acid pKa: 10.661755
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2906367
• LogD (pH = 7.4): 1.471368
• Log P: 1.4747427
• Molar Refractivity: 47.9364 cm^3
• Polarizability: 18.451077 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153 - 155°C
• Hydrophobicity(logP): 2.07

Product Information

• Purity: 95%