HCID21463672

3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

[2-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]methanol

C16H12Cl2FN3O352.2 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(CO)c(Cl)c1
InChIKey: DNHHAOWRKGCKBT-UHFFFAOYSA-N
分子式: C16H12Cl2FN3O
平均分子量: 352.2 g/mol
单同位素质量: 351.0341456

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 50.9 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 406

ALIASES

名称与别名

共 5 条

SCHEMBL8298161DNHHAOWRKGCKBT-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl) 1-methyl-1H-1,2,4-triazole3-(2-chloro-6-fluorophenyl)-5-(3-chloro-4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

REACTIONS