3-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

• ChemBase ID: 308742
• Molecular Formular: C10H10BrNO2
• Molecular Mass: 256.0959
• Monoisotopic Mass: 254.98949057
• SMILES: N1(C(=O)OCC1)c1c(cc(cc1)C)Br
• Canonical SMILES: Cc1ccc(c(c1)Br)N1CCOC1=O
• InChI: InChI=1S/C10H10BrNO2/c1-7-2-3-9(8(11)6-7)12-4-5-14-10(12)13/h2-3,6H,4-5H2,1H3
• InChIKey: UVSAZZKXQHVWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 1060817-68-6
• MDL Number: MFCD11054012

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8049624
• LogD (pH = 7.4): 2.8049624
• Log P: 2.8049624
• Molar Refractivity: 56.3555 cm^3
• Polarizability: 21.66087 Å^3
• Polar Surface Area: 29.54 Å^2