2-(2-bromoethoxy)-1,3-dichlorobenzene

• ChemBase ID: 233217
• Molecular Formular: C8H7BrCl2O
• Molecular Mass: 269.95058
• Monoisotopic Mass: 267.9057322
• SMILES: c1(c(Cl)cccc1Cl)OCCBr
• Canonical SMILES: BrCCOc1c(Cl)cccc1Cl
• InChI: InChI=1S/C8H7BrCl2O/c9-4-5-12-8-6(10)2-1-3-7(8)11/h1-3H,4-5H2
• InChIKey: RQGVZXGJKYJQSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethoxy)-1,3-dichlorobenzene
• IUPAC Traditional name: 2-(2-bromoethoxy)-1,3-dichlorobenzene
• Synonyms: 2-(2-bromoethoxy)-1,3-dichlorobenzene

Database IDs

• CAS Number: 26583-73-3
• MDL Number: MFCD02030847
• PubChem SID: 164289127
• PubChem CID: 2452240

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8736491
• LogD (pH = 7.4): 3.8736491
• Log P: 3.8736491
• Molar Refractivity: 54.4576 cm^3
• Polarizability: 21.362888 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 18 - 20°C
• Hydrophobicity(logP): 3.948

Product Information

• Purity: 95%