HCID350623

2,6-Dichloro-3-nitrobenzoic acid

C7H3Cl2NO4236.01 g/molCAS 55775-97-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1Cl
InChIKey: PCIHIUCCINHORT-UHFFFAOYSA-N
分子式: C7H3Cl2NO4
平均分子量: 236.01 g/mol
单同位素质量: 234.943913

COMPUTED

结构计算性质

等待补全

XLogP: 2.5
极性表面积: 83.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 255

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 30 条

2,6-Dichloro-3-nitrobenzoic acid55775-97-8DTXSID80325622RefChem:248225DTXCID10276739628-353-1InChI=1/C7H3Cl2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12MFCD0007542226-Dichloro-3-nitrobenzoic acid2,6-dichloro-3-nitro-benzoic acidBenzoic acid, 2,6-dichloro-3-nitro-2,6-Dichloro-3-nitrobenzoicacidNSC513361SCHEMBL9127722,6dichloro-5-nitrobenzoic acidPCIHIUCCINHORT-UHFFFAOYSA-N5-nitro-2,6-dichloro benzoic acidSBB003247AKOS005259754CS-W005076

REACTIONS

相关反应

52 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 (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588730

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04588730

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