1-(2-chloroethoxy)-2-methoxybenzene

• ChemBase ID: 312242
• Molecular Formular: C9H11ClO2
• Molecular Mass: 186.63544
• Monoisotopic Mass: 186.04475727
• SMILES: c1(c(OCCCl)cccc1)OC
• Canonical SMILES: ClCCOc1ccccc1OC
• InChI: InChI=1S/C9H11ClO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7H2,1H3
• InChIKey: CJHKWIFDLHQWCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-2-methoxybenzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-2-methoxybenzene
• Synonyms: 1-(2-chloroethoxy)-2-methoxybenzene

Database IDs

• CAS Number: 53815-60-4
• MDL Number: MFCD02670303

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3223932
• LogD (pH = 7.4): 2.3223932
• Log P: 2.3223932
• Molar Refractivity: 48.3277 cm^3
• Polarizability: 19.038284 Å^3
• Polar Surface Area: 18.46 Å^2