uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829204B2
查看IDENTITY
结构与身份
- 标准SMILES
- CC(=O)N1CCOc2ccc([N+](=O)[O-])cc21
- InChIKey
- GYWWRZWGVRSDCE-UHFFFAOYSA-N
- 分子式
- C10H10N2O4
- 平均分子量
- 222.2 g/mol
- 单同位素质量
- 222.0640568
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 75.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 0
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 302
物化、安全与法规信息正在同步。
ALIASES
名称与别名
120711-96-81-(6-nitro-2H-benzo[b][1,4]oxazin-4(3H)-yl)ethanone1-(6-Nitro-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)ethan-1-one1-(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone4-acetyl-3,4-dihydro-6-nitro-1,4-benzoxazineSCHEMBL3964674-acetyl-6-nitro-3,4-dihydro-2H-benzo[1,4]oxazineGYWWRZWGVRSDCE-UHFFFAOYSA-NAKOS016666819ST099136DB-316174CS-03636634-acetyl-6-nitro-3,4-dihydro-2H-1,4-benzoxazine4-acetyl-6-nitro-2H,3H-benzo[e]1,4-oxazaperhydroineZ3235600703
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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