HCID19905718

5-Chloropyridazin-3(2H)-one

4-chloro-1H-pyridazin-6-one

C4H3ClN2O130.53 g/molCAS 660425-07-0

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IDENTITY

结构与身份

标准SMILES: O=c1cc(Cl)cn[nH]1
InChIKey: NHMLZGFOEYLZEN-UHFFFAOYSA-N
分子式: C4H3ClN2O
平均分子量: 130.53 g/mol
单同位素质量: 129.9933904

COMPUTED

结构计算性质

等待补全

XLogP: 0.1
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 173

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 38 条

660425-07-05-chloropyridazin-3(2H)-oneDTXSID60601178RefChem:302672DTXCID90551935692-073-65-Chloropyridazin-3-(2H)-one5-CHLOROPYRIDAZIN-3-OL4-chloro-1H-pyridazin-6-one3(2H)-Pyridazinone, 5-chloro-MFCD12198134866430-10-65-chloro-2H-pyridazin-3-one5-chloropyridazin-3-one5-Chloro-pyridazin-3-one5-chloropyridazin-3(2H)oneSCHEMBL3884225-Chloro-3(2H)-pyridazinone5-chloropyridazine-3(2H)-oneorb3029706

REACTIONS

相关反应

12 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434725B2

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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 (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143253B2

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

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uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07442701B2

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uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07442701B2

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