Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1c([N+](=O)[O-])ccc(N)c1[N+](=O)[O-]
- InChIKey
- RGHYJDKBMRBWHS-UHFFFAOYSA-N
- 分子式
- C7H7N3O4
- 平均分子量
- 197.15 g/mol
- 单同位素质量
- 197.04365571
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 118 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 0
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 246
物化、安全与法规信息正在同步。
ALIASES
名称与别名
3-methyl-2,4-dinitroaniline10202-92-32,4-Dinitro-m-toluidineMFCD016795493-Amino-2,6-dinitrotoluenem-Toluidine, 2,4-dinitro-BRN 2653563Benzenamine, 2,4-dinitro-3-methyl-2,4-Dinitro-3-methylaniline3-methyl-2,4-dinitro-aniline3-methyl-2,4-dinitrobenzenamineBenzenamine, 3-methyl-2,4-dinitro-2-12-00-00480 (Beilstein Handbook Reference)SCHEMBL2006430DTXSID5074428RGHYJDKBMRBWHS-UHFFFAOYSA-NAC2711AKOS037629572SY039091DB-339431
REACTIONS
参与反应
uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834470
查看uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05952362
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06486190B1
查看uspto-grants-2000_05 · 10.6084/m9.figshare.5104873.v1 · US06057349
查看uspto-grants-1996_07 · 10.6084/m9.figshare.5104873.v1 · US05541210
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