HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

1-[[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

C12H11F2N3O251.23 g/molCAS 124627-86-7

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IDENTITY

结构与身份

标准 SMILES: CC1OC1(Cn1cncn1)c1ccc(F)cc1F
InChIKey: QANJLSHZDUOBBP-UHFFFAOYSA-N
分子式: C12H11F2N3O
平均分子量: 251.23 g/mol
单同位素质量: 251.08701831

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 43.2 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 18
形式电荷: 0
复杂度: 320

ALIASES

名称与别名

共 18 条

124627-86-7DTXSID6011490431-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole1-[[2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1H-1,2,4-triazoleRefChem:1053623DTXCID0015806051-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole1-{[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxiraneC12H11F2N3OSCHEMBL3264782QANJLSHZDUOBBP-UHFFFAOYSA-N1-[[2-(2,4-difluorophenyl)-3-methyl-oxiran-2-yl]methyl]-1,2,4-triazole2,4-Difluorophenyl-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyl oxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane(2RS,3SR)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane

REACTIONS

参与反应

54 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID91766

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID118622

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID119084

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

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HRID123192

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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HRID137239

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

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HRID143061

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID148369

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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HRID161951

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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