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

• ChemBase ID: 311098
• Molecular Formular: C10H13BrO
• Molecular Mass: 229.11362
• Monoisotopic Mass: 228.01497704
• SMILES: c1(c(ccc(c1)OCCBr)C)C
• Canonical SMILES: BrCCOc1ccc(c(c1)C)C
• InChI: InChI=1S/C10H13BrO/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6H2,1-2H3
• InChIKey: ISCXPRVQNSOSNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromoethoxy)-1,2-dimethylbenzene
• IUPAC Traditional name: 4-(2-bromoethoxy)-1,2-dimethylbenzene
• Synonyms: 2-bromoethyl 3,4-dimethylphenyl ether

Database IDs

• CAS Number: 3351-53-9
• MDL Number: MFCD02030854

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: 20.867476 Å^3
• Polar Surface Area: 9.23 Å^2