HCID7010174

1-(4-methylbenzyl)-3-nitro-1H-pyrazole

1-[(4-methylphenyl)methyl]-3-nitropyrazole

C11H11N3O2217.22 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1
InChIKey: XBTSHQYPEYHCPX-UHFFFAOYSA-N
分子式: C11H11N3O2
平均分子量: 217.22 g/mol
单同位素质量: 217.0851266

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 63.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 246

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 17 条

1-(4-methylbenzyl)-3-nitro-1H-pyrazole1001510-36-61-[(4-Methylphenyl)methyl]-3-nitro-1H-pyrazole1-(4-Methyl-benzyl)-3-nitro-1H-pyrazole1-[(4-methylphenyl)methyl]-3-nitropyrazoleMFCD020292513-nitro-1-(p-tolylmethyl)pyrazoleSCHEMBL1857009XBTSHQYPEYHCPX-UHFFFAOYSA-NSBB022281STK349682AKOS000310718AKOS015922208DB-374766ST45091983EN300-229751F025749

REACTIONS

参与反应

4 条

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

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

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935699B2

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935699B2

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