反应SMILES:CC1CC(=O)NN=C1c1ccc(Cl)c([N+](=O)[O-])c1
HCID2874432

6-(4-chloro-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one

3-(4-chloro-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C11H10ClN3O3267.67 g/molCAS 117397-88-3

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

已同步
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

共 21 条
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

9
HRID286829

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 286829 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看
HRID692478

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

作为反应物
HRID 692478 方程式

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

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HRID1031428

uspto-grants-1990_09

作为反应物
HRID 1031428 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954499

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HRID1031458

uspto-grants-1990_09

作为反应物
HRID 1031458 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501

查看
HRID1031459

uspto-grants-1990_09

作为反应物
HRID 1031459 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501

查看
HRID1031460

uspto-grants-1990_09

作为反应物
HRID 1031460 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501

查看
HRID1031463

uspto-grants-1990_09

作为反应物
HRID 1031463 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501

查看
HRID1031466

uspto-grants-1990_09

作为反应物
HRID 1031466 方程式

uspto-grants-1990_09 · 10.6084/m9.figshare.5104873.v1 · US04954501

查看