HCID2777166

1-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic acid

C11H9ClN2O2236.65 g/molCAS 187998-35-2

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IDENTITY

结构与身份

标准SMILES: Cc1c(C(=O)O)cnn1-c1ccc(Cl)cc1
InChIKey: OAPQKGGVDCZENK-UHFFFAOYSA-N
分子式: C11H9ClN2O2
平均分子量: 236.65 g/mol
单同位素质量: 236.0352552

COMPUTED

结构计算性质

等待补全

XLogP: 2.4
极性表面积: 55.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 267

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 22 条

187998-35-21-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acidDTXSID80380397RefChem:225064DTXCID60331423674-155-31-(4-chlorophenyl)-5-methylpyrazole-4-carboxylic acidMFCD015662601H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid1-(4-Chlorophenyl)-5-Methyl-1h-Pyrazole-4-CarboxylicAcidSCHEMBL14201551-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxylic AcidOAPQKGGVDCZENK-UHFFFAOYSA-NSBB098662AKOS000129340AS-31449SY063881CS-0153494EN300-27336

REACTIONS

参与反应

23 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 (2/10) · 10.1039/C8SC04228D

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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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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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