HCID59334896

2-methyl-6-nitro-2H-indazole-3-carboxylic acid

2-methyl-6-nitroindazole-3-carboxylic acid

C9H7N3O4221.17 g/molCAS 1058740-78-5

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IDENTITY

结构与身份

标准SMILES: Cn1nc2cc([N+](=O)[O-])ccc2c1C(=O)O
InChIKey: SWSODTYWIXQKPN-UHFFFAOYSA-N
分子式: C9H7N3O4
平均分子量: 221.17 g/mol
单同位素质量: 221.04365571

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 316

ALIASES

名称与别名

共 9 条

2-methyl-6-nitro-2H-indazole-3-carboxylic acid1058740-78-52H-Indazole-3-carboxylic acid, 2-methyl-6-nitro-SCHEMBL2842932SWSODTYWIXQKPN-UHFFFAOYSA-NDTXSID001246126SY2647522-methyl-6-nitroindazole-3-carboxylic acid2-methyl-6-nitro-2H-indazole-3-carboxylicacid

REACTIONS

参与反应

4 条

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

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211923B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211923B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08211923B2

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