HCID87134396

potassium (4-((4-chlorophenyl)(hydroxy)methyl)-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazol-3-yl)thiophen-2-yl)trifluoroborate

potassium [4-[(4-chlorophenyl)-hydroxymethyl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]thiophen-2-yl]-trifluoroboranuide

C18H17BClF3KN3O2S481.8 g/mol

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IDENTITY

结构与身份

标准SMILES: OC(c1ccc(Cl)cc1)c1cc([B-](F)(F)F)sc1-c1ncn(C2CCCCO2)n1.[K+]
InChIKey: CEQIGMBRLAVQRU-UHFFFAOYSA-N
分子式: C18H17BClF3KN3O2S
平均分子量: 481.8 g/mol
单同位素质量: 481.0412218

COMPUTED

结构计算性质

已同步

极性表面积: 88.4 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 565

ALIASES

名称与别名

共 2 条

CEQIGMBRLAVQRU-UHFFFAOYSA-Npotassium (4-((4-chlorophenyl)(hydroxy)methyl)-5-(1-(tetrahydro-2H-pyran-2-yl)-1H-1,2,4-triazol-3-yl)thiophen-2-yl)trifluoroborate

REACTIONS