1-(2-bromoethoxy)-2,4-dimethylbenzene

• ChemBase ID: 311100
• Molecular Formular: C10H13BrO
• Molecular Mass: 229.11362
• Monoisotopic Mass: 228.01497704
• SMILES: c1(c(ccc(c1)C)OCCBr)C
• Canonical SMILES: BrCCOc1ccc(cc1C)C
• InChI: InChI=1S/C10H13BrO/c1-8-3-4-10(9(2)7-8)12-6-5-11/h3-4,7H,5-6H2,1-2H3
• InChIKey: XFABTWHRMOSZRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-2,4-dimethylbenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-2,4-dimethylbenzene
• Synonyms: 1-(2-bromoethoxy)-2,4-dimethylbenzene

Database IDs

• CAS Number: 18800-35-6
• MDL Number: MFCD02030842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6924024
• LogD (pH = 7.4): 3.6924024
• Log P: 3.6924024
• Molar Refractivity: 54.9304 cm^3
• Polarizability: 20.86833 Å^3
• Polar Surface Area: 9.23 Å^2