3-(2-bromoethyl)oxolane

• ChemBase ID: 309215
• Molecular Formular: C6H11BrO
• Molecular Mass: 179.05494
• Monoisotopic Mass: 177.99932697
• SMILES: O1CC(CCBr)CC1
• Canonical SMILES: BrCCC1COCC1
• InChI: InChI=1S/C6H11BrO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
• InChIKey: QUNGVZNMYWXZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromoethyl)oxolane
• IUPAC Traditional name: 3-(2-bromoethyl)oxolane
• Synonyms: 3-(2-bromoethyl)tetrahydrofuran

Database IDs

• CAS Number: 1229624-12-7
• MDL Number: MFCD17078851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4432969
• LogD (pH = 7.4): 1.4432969
• Log P: 1.4432969
• Molar Refractivity: 37.5893 cm^3
• Polarizability: 14.537989 Å^3
• Polar Surface Area: 9.23 Å^2