HCID10944246

Methyl 2-(4-chloro-2-nitrophenyl)acetate

C9H8ClNO4229.62 g/molCAS 147124-37-6

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IDENTITY

结构与身份

标准SMILES: COC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: SMDKYKOCWWWBJC-UHFFFAOYSA-N
分子式: C9H8ClNO4
平均分子量: 229.62 g/mol
单同位素质量: 229.0141854

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 253

ALIASES

名称与别名

共 21 条

Methyl 2-(4-chloro-2-nitrophenyl)acetate147124-37-6Benzeneacetic acid, 4-chloro-2-nitro-, methyl esterMFCD12913619Methyl2-(4-chloro-2-nitrophenyl)acetateMethyl 2-(4-chloro-2-nitro-phenyl)acetateSCHEMBL5206514DTXSID80449296SMDKYKOCWWWBJC-UHFFFAOYSA-NAKOS015998520AKOS016011925Methyl (2-nitro-4-chlorophenyl)acetateMethyl (4-chloro-2-nitrophenyl)acetateAS-68782SY045738methyl 2-(2-nitro-4-chlorophenyl)acetateDB-360638CS-0061876W17679F608564

REACTIONS

参与反应

8 条

uspto-grants-1993_05 · 10.6084/m9.figshare.5104873.v1 · US05210212

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uspto-grants-1992_11 · 10.6084/m9.figshare.5104873.v1 · US05166401

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uspto-grants-1992_11 · 10.6084/m9.figshare.5104873.v1 · US05166401

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07053107B2

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uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07053107B2

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