2-(3,5-dichloro-4-methylbenzoyl)-1,2-oxazolidin-4-ol

• ChemBase ID: 862712
• Molecular Formular: C11H11Cl2NO3
• Molecular Mass: 276.11594
• Monoisotopic Mass: 275.01159858
• SMILES: N1(C(=O)c2cc(c(c(c2)Cl)C)Cl)OCC(C1)O
• Canonical SMILES: OC1CON(C1)C(=O)c1cc(Cl)c(c(c1)Cl)C
• InChI: InChI=1S/C11H11Cl2NO3/c1-6-9(12)2-7(3-10(6)13)11(16)14-4-8(15)5-17-14/h2-3,8,15H,4-5H2,1H3
• InChIKey: LMTRXZUGZWRWRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dichloro-4-methylbenzoyl)-1,2-oxazolidin-4-ol
• IUPAC Traditional name: 2-(3,5-dichloro-4-methylbenzoyl)-1,2-oxazolidin-4-ol
• Synonyms: 2-(3,5-dichloro-4-methylbenzoyl)-4-isoxazolidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.925845
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3419921
• LogD (pH = 7.4): 2.341992
• Log P: 2.3419921
• Molar Refractivity: 64.9243 cm^3
• Polarizability: 24.938791 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.71
• LOG S: -2.67
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 1