Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
- InChIKey
- OPVVNOMDBDQRTM-UHFFFAOYSA-N
- 分子式
- C11H13FN2O4
- 平均分子量
- 256.23 g/mol
- 单同位素质量
- 256.08593506
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 84.2 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 324
ALIASES
名称与别名
579474-17-2tert-Butyl (4-fluoro-2-nitrophenyl)carbamatetert-butyl 4-fluoro-2-nitrophenylcarbamate(4-Fluoro-2-nitro-phenyl)-carbamic acid tert-butyl estertert-butyl N-(4-fluoro-2-nitrophenyl)carbamateSCHEMBL1265609SCHEMBL29799606OPVVNOMDBDQRTM-UHFFFAOYSA-NAKOS014476119DB-189364tert-Butyl(4-fluoro-2-nitrophenyl)carbamateF80612EN300-6898642
REACTIONS
参与反应
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查看uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884109B2
查看uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884109B2
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