2-(3-chlorophenyl)-N'-hydroxyethanimidamide

• ChemBase ID: 272550
• Molecular Formular: C8H9ClN2O
• Molecular Mass: 184.62286
• Monoisotopic Mass: 184.0403406
• SMILES: C(=N\O)(/Cc1cc(Cl)ccc1)\N
• Canonical SMILES: O/N=C(/Cc1cccc(c1)Cl)\N
• InChI: InChI=1S/C8H9ClN2O/c9-7-3-1-2-6(4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: JUTJREHZYDXQBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chlorophenyl)-N'-hydroxyethanimidamide
• IUPAC Traditional name: 2-(3-chlorophenyl)-N'-hydroxyethanimidamide
• Synonyms: 2-(3-chlorophenyl)-N'-hydroxyethanimidamide

Database IDs

• MDL Number: MFCD08558975
• PubChem SID: 164328460
• PubChem CID: 16775239

CALCULATED PROPERTIES

• Acid pKa: 10.689801
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2533485
• LogD (pH = 7.4): 1.4705899
• Log P: 1.4747427
• Molar Refractivity: 47.9364 cm^3
• Polarizability: 18.448084 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.07

Product Information

• Purity: 95%