HCID11097352

ethyl 1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylate

C12H14N4O3262.26 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1nnnn1Cc1ccc(OC)cc1
InChIKey: BDPVPSDZJZVQAN-UHFFFAOYSA-N
分子式: C12H14N4O3
平均分子量: 262.26 g/mol
单同位素质量: 262.10659032

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 79.1 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 19
形式电荷: 0
复杂度: 295

ALIASES

名称与别名

共 9 条

70978-35-7ethyl 1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazole-5-carboxylateethyl1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylateethyl 1-(4-methoxybenzyl)-1H-tetrazole-5-carboxylateSCHEMBL5912674BDPVPSDZJZVQAN-UHFFFAOYSA-NAKOS017871204DA-033791-(p-methoxybenzyl)-5-carboethoxy tetrazole

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1984_04 · 10.6084/m9.figshare.5104873.v1 · US04442115

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uspto-grants-1984_04 · 10.6084/m9.figshare.5104873.v1 · US04442115

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uspto-grants-1982_02 · 10.6084/m9.figshare.5104873.v1 · US04316037

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