[methoxy(4-methoxyphenyl)methylidene]azanylium chloride

• ChemBase ID: 815962
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: C(=[N+])(c1ccc(cc1)OC)OC.[Cl-]
• Canonical SMILES: COc1ccc(cc1)C(=[N+])OC.[Cl-]
• InChI: InChI=1S/C9H10NO2.ClH/c1-11-8-5-3-7(4-6-8)9(10)12-2;/h3-6H,1-2H3;1H/q+1;/p-1
• InChIKey: PODHSEUYABRKGD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [methoxy(4-methoxyphenyl)methylidene]azanylium chloride
• IUPAC Traditional name: [methoxy(4-methoxyphenyl)methylidene]azanylium chloride
• Synonyms: METHOXY(4-METHOXYPHENYL)METHANIMINIUM CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3531258
• LogD (pH = 7.4): 1.3531258
• Log P: 1.3531258
• Molar Refractivity: 44.8154 cm^3
• Polarizability: 17.614828 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%