[2-(2-chlorophenyl)-1-methoxyethylidene]azanylium chloride

• ChemBase ID: 802422
• Molecular Formular: C9H9Cl2NO
• Molecular Mass: 218.07986
• Monoisotopic Mass: 217.00611927
• SMILES: C(=[N+])(Cc1c(cccc1)Cl)OC.[Cl-]
• Canonical SMILES: COC(=[N+])Cc1ccccc1Cl.[Cl-]
• InChI: InChI=1S/C9H9ClNO.ClH/c1-12-9(11)6-7-4-2-3-5-8(7)10;/h2-5H,6H2,1H3;1H/q+1;/p-1
• InChIKey: PIVWPEIXRZMZCL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-chlorophenyl)-1-methoxyethylidene]azanylium chloride
• IUPAC Traditional name: [2-(2-chlorophenyl)-1-methoxyethylidene]azanylium chloride
• Synonyms: 2-(2-CHLOROPHENYL)-1-METHOXYETHANIMINIUM CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7388258
• LogD (pH = 7.4): 1.7388258
• Log P: 1.7388258
• Molar Refractivity: 47.2084 cm^3
• Polarizability: 18.851213 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%