HCID243433

3-Acetamido-4-methyl-2-nitrobenzoic acid

C10H10N2O5238.2 g/molCAS 7356-52-7

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1c(C)ccc(C(=O)O)c1[N+](=O)[O-]
InChIKey: TXVWKWQKCFPEDJ-UHFFFAOYSA-N
分子式: C10H10N2O5
平均分子量: 238.2 g/mol
单同位素质量: 238.05897142

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 112 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 338

ALIASES

名称与别名

共 21 条

3-acetamido-4-methyl-2-nitrobenzoic acid7356-52-7MFCD007550983-acetamido-4-methyl-2-nitro-benzoic acid3-(acetylamino)-4-methyl-2-nitrobenzoic acidBenzoic acid, 3-(acetylamino)-4-methyl-2-nitro-NSC53197Oprea1_187115SCHEMBL559811DTXSID80287897TXVWKWQKCFPEDJ-UHFFFAOYSA-NNSC-53197AKOS015919857GS-40463-acetamido-4-methyl-2-nitrobenzoicacidSY107808DB-055778ST50979862F077051SR-01000208110

REACTIONS

参与反应

14 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 (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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304084B2

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304084B2

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

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07989461B2

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