HCID69000582

1-{[4-(methyloxy)phenyl]methyl}-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C23H26BN3O5435.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIKey: WKWFJYKWYJBUFK-UHFFFAOYSA-N
分子式: C23H26BN3O5
平均分子量: 435.3 g/mol
单同位素质量: 435.1965511

COMPUTED

结构计算性质

已同步

极性表面积: 91.3 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 641

ALIASES

名称与别名

共 6 条

SCHEMBL4317065WKWFJYKWYJBUFK-UHFFFAOYSA-NDB-1319191-(4-Methoxybenzyl)-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-{[4-(methyloxy)phenyl]methyl}-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole942920-25-4

REACTIONS