5-(2-bromo-4-fluorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase编号: 269337
• 分子式: C10H8BrFN2O2
• 平均质量: 287.0851232
• 单一同位素质量: 285.97531773
• SMILES: C1(C(=O)NC(=O)N1)(c1c(cc(cc1)F)Br)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccc(cc1Br)F
• InChI: InChI=1S/C10H8BrFN2O2/c1-10(8(15)13-9(16)14-10)6-3-2-5(12)4-7(6)11/h2-4H,1H3,(H2,13,14,15,16)
• InChIKey: KJYHFTNCVUKMRE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(2-bromo-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC传统名: 5-(2-bromo-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• 别名: 5-(2-bromo-4-fluorophenyl)-5-methylimidazolidine-2,4-dione

登记号

• MDL号: MFCD16817553
• PubChem SID: 164325247
• PubChem CID: 50987603

理论计算性质

• 极化性: 22.172323 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• Acid pKa: 8.961676
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.8302811
• LogD (pH = 7.4): 1.8188103
• Log P: 1.8304294
• 摩尔折射率: 57.9565 cm^3

分子性质

理化性质

• 疏水性(logP): 2.052

产品相关信息

• 纯度: 95%