HCID74785

2-Chloroterephthalic acid

C8H5ClO4200.57 g/molCAS 1967-31-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc(C(=O)O)c(Cl)c1
InChIKey: ZPXGNBIFHQKREO-UHFFFAOYSA-N
分子式: C8H5ClO4
平均分子量: 200.57 g/mol
单同位素质量: 199.9876363

COMPUTED

结构计算性质

等待补全

XLogP: 1.7
极性表面积: 74.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 228

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 31 条

2-Chloroterephthalic acid1967-31-32-chloro-1,4-benzenedicarboxylic acidEINECS 217-817-5DTXSID50173339NSC 20548RefChem:470536DTXCID5095830217-817-5MFCD146357921,4-Benzenedicarboxylic acid, 2-chloro-2-chlorobenzene-1,4-dicarboxylic acidMTF36HH2GJNSC-205482-Chlorobenzene-1,4-dioic acidTerephthalic acid, chloro-NSC205482-ChloroterephthalicacidUNII-MTF36HH2GJ2-chloro terephthalic acid

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 (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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uspto-grants-1989_02 · 10.6084/m9.figshare.5104873.v1 · US04803294

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