1-(2-chloroethoxy)-3-ethoxybenzene

• ChemBase ID: 312661
• Molecular Formular: C10H13ClO2
• Molecular Mass: 200.66202
• Monoisotopic Mass: 200.06040734
• SMILES: c1c(OCC)cccc1OCCCl
• Canonical SMILES: ClCCOc1cccc(c1)OCC
• InChI: InChI=1S/C10H13ClO2/c1-2-12-9-4-3-5-10(8-9)13-7-6-11/h3-5,8H,2,6-7H2,1H3
• InChIKey: GVBWIVKMJWBPFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethoxy)-3-ethoxybenzene
• IUPAC Traditional name: 1-(2-chloroethoxy)-3-ethoxybenzene
• Synonyms: 1-(2-chloroethoxy)-3-ethoxybenzene

Database IDs

• CAS Number: 915924-31-1
• MDL Number: MFCD08691992

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: 20.872007 Å^3
• Polar Surface Area: 18.46 Å^2