(Z)-2-(3-chlorophenoxy)-N'-hydroxyethenimidamide hydrochloride

• ChemBase ID: 124632
• Molecular Formular: C8H10Cl2N2O2
• Molecular Mass: 237.0832
• Monoisotopic Mass: 236.01193293
• SMILES: C(=N\O)(/COc1cc(Cl)ccc1)\N.Cl
• Canonical SMILES: O/N=C(/COc1cccc(c1)Cl)\N.Cl
• InChI: InChI=1S/C8H9ClN2O2.ClH/c9-6-2-1-3-7(4-6)13-5-8(10)11-12;/h1-4,12H,5H2,(H2,10,11);1H
• InChIKey: RGYDSMOWDFHWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-2-(3-chlorophenoxy)-N'-hydroxyethenimidamide hydrochloride
• IUPAC Traditional name: (Z)-2-(3-chlorophenoxy)-N'-hydroxyethenimidamide hydrochloride
• Synonyms: (Z)-2-(3-chlorophenoxy)-N'-hydroxyacetimidamide hydrochloride

Database IDs

• PubChem SID: 162218985
• PubChem CID: 51052037

CALCULATED PROPERTIES

• Acid pKa: 8.699035
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1560569
• LogD (pH = 7.4): 1.1360079
• Log P: 1.1573064
• Molar Refractivity: 49.1766 cm^3
• Polarizability: 19.171404 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl