1-(2-chloroethoxy)-2-ethoxybenzene

• ChemBase ID: 312527
• Molecular Formular: C10H13ClO2
• Molecular Mass: 200.66202
• Monoisotopic Mass: 200.06040734
• SMILES: c1(c(OCCCl)cccc1)OCC
• Canonical SMILES: ClCCOc1ccccc1OCC
• InChI: InChI=1S/C10H13ClO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3
• InChIKey: CKDUTEWYIDNOBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56842-04-7
• MDL Number: MFCD08691952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6792011
• LogD (pH = 7.4): 2.6792011
• Log P: 2.6792011
• Molar Refractivity: 53.0763 cm^3
• Polarizability: 20.873491 Å^3
• Polar Surface Area: 18.46 Å^2