2-(2-bromoethoxy)-1-chloro-3-methylbenzene

• ChemBase ID: 311182
• Molecular Formular: C9H10BrClO
• Molecular Mass: 249.5321
• Monoisotopic Mass: 247.96035462
• SMILES: c1(c(Cl)cccc1C)OCCBr
• Canonical SMILES: BrCCOc1c(C)cccc1Cl
• InChI: InChI=1S/C9H10BrClO/c1-7-3-2-4-8(11)9(7)12-6-5-10/h2-4H,5-6H2,1H3
• InChIKey: ZYACOGVFZFWGMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)-1-chloro-3-methylbenzene
• IUPAC Traditional name: 2-(2-bromoethoxy)-1-chloro-3-methylbenzene
• Synonyms: 2-(2-bromoethoxy)-1-chloro-3-methylbenzene

Database IDs

• CAS Number: 26646-29-7
• MDL Number: MFCD02030848

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7830257
• LogD (pH = 7.4): 3.7830257
• Log P: 3.7830257
• Molar Refractivity: 54.694 cm^3
• Polarizability: 21.099066 Å^3
• Polar Surface Area: 9.23 Å^2