2-(2-bromoethoxy)-1-chloro-4-methylbenzene

• ChemBase ID: 311172
• Molecular Formular: C9H10BrClO
• Molecular Mass: 249.5321
• Monoisotopic Mass: 247.96035462
• SMILES: c1(c(ccc(c1)C)Cl)OCCBr
• Canonical SMILES: Cc1cc(OCCBr)c(cc1)Cl
• InChI: InChI=1S/C9H10BrClO/c1-7-2-3-8(11)9(6-7)12-5-4-10/h2-3,6H,4-5H2,1H3
• InChIKey: DGTRQYPWARXPLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)-1-chloro-4-methylbenzene
• IUPAC Traditional name: 2-(2-bromoethoxy)-1-chloro-4-methylbenzene
• Synonyms: 2-(2-bromoethoxy)-1-chloro-4-methylbenzene

Database IDs

• CAS Number: 910032-21-2
• MDL Number: MFCD02030850

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: 21.095362 Å^3
• Polar Surface Area: 9.23 Å^2