2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole

• ChemBase编号: 807460
• 分子式: C10H7BrFNS
• 平均质量: 272.1366832
• 单一同位素质量: 270.94666045
• SMILES: s1c(nc(c1)c1cc(cc(c1)C)F)Br
• Canonical SMILES: Brc1scc(n1)c1cc(C)cc(c1)F
• InChI: InChI=1S/C10H7BrFNS/c1-6-2-7(4-8(12)3-6)9-5-14-10(11)13-9/h2-5H,1H3
• InChIKey: UWBQDPGQOWEFCF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole
• IUPAC传统名: 2-bromo-4-(3-fluoro-5-methylphenyl)-1,3-thiazole
• 别名: 2-BROMO-4-(3-FLUORO-5-METHYL-PHENYL)-THIAZOLE

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.385304
• LogD (pH = 7.4): 4.385305
• Log P: 4.385305
• 摩尔折射率: 58.913 cm^3
• 极化性: 23.389864 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%