Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC1CC(=O)NN=C1c1ccc(Cl)c([N+](=O)[O-])c1
- InChIKey
- YJXLFWFRDVWRSY-UHFFFAOYSA-N
- 分子式
- C11H10ClN3O3
- 平均分子量
- 267.67 g/mol
- 单同位素质量
- 267.0410689
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 87.3 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 393
ALIASES
名称与别名
117397-88-36-(4-chloro-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one3-(4-chloro-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one6-(4-chloro-3-nitrophenyl)-4,5-dihydro-5-methyl-3(2H)-Pyridazinone6-(4-chloro-3-nitrophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-oneYJXLFWFRDVWRSY-UHFFFAOYSA-NSCHEMBL2015885DTXSID20386858SMSF0008990AKOS001012183CB01003DB-306873CS-0283164AB00100046-01SR-01000222538SR-01000222538-1Z56788132F1638-00346-(4-chloro-3-nitro-phenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone6-(4-chloro-3-nitro-phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954499
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查看uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501
查看uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501
查看uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501
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