3-(3-bromopropyl)-1,3-oxazolidin-2-one

• ChemBase ID: 263045
• Molecular Formular: C6H10BrNO2
• Molecular Mass: 208.0531
• Monoisotopic Mass: 206.98949057
• SMILES: C1(=O)N(CCCBr)CCO1
• Canonical SMILES: BrCCCN1CCOC1=O
• InChI: InChI=1S/C6H10BrNO2/c7-2-1-3-8-4-5-10-6(8)9/h1-5H2
• InChIKey: OVUSZVOVNZLPCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-bromopropyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(3-bromopropyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(3-bromopropyl)-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD11164514
• PubChem SID: 164318955
• PubChem CID: 43135398

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.77477485
• LogD (pH = 7.4): 0.77477485
• Log P: 0.77477485
• Molar Refractivity: 41.1061 cm^3
• Polarizability: 15.915343 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.015

Product Information

• Purity: 95%