(4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol

• ChemBase编号: 306516
• 分子式: C11H11FN2O
• 平均质量: 206.2162432
• 单一同位素质量: 206.0855412
• SMILES: c1(n(ccn1)C)C(c1ccc(cc1)F)O
• Canonical SMILES: Fc1ccc(cc1)C(c1nccn1C)O
• InChI: InChI=1S/C11H11FN2O/c1-14-7-6-13-11(14)10(15)8-2-4-9(12)5-3-8/h2-7,10,15H,1H3
• InChIKey: KJCSIXINJKNLAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol
• IUPAC传统名: (4-fluorophenyl)(1-methylimidazol-2-yl)methanol
• 别名: (4-fluorophenyl)(1-methyl-1H-imidazol-2-yl)methanol

登记号

• CAS号: 122155-26-4
• MDL号: MFCD03211779

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1498921
• LogD (pH = 7.4): 1.4570426
• Log P: 1.4633999
• 摩尔折射率: 54.6267 cm^3
• 极化性: 20.628553 Å^3
• 极化表面积: 38.05 Å^2