HCID123546

4-Bromo-2-nitrotoluene

4-bromo-1-methyl-2-nitrobenzene

C7H6BrNO2216.03 g/molCAS 60956-26-5

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: KZNXALJXBRSMFL-UHFFFAOYSA-N
分子式: C7H6BrNO2
平均分子量: 216.03 g/mol
单同位素质量: 214.95819

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 157

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 47 条

4-Bromo-2-nitrotoluene60956-26-54-bromo-1-methyl-2-nitrobenzeneEINECS 262-536-3DTXSID10209784RefChem:519787DTXCID60132275262-536-34-bromo-1-methyl-2-nitro-benzeneMFCD00041243Benzene, 4-bromo-1-methyl-2-nitro-2-nitro-4-bromotoluene4-bromo-6-nitrotoluene5-Bromo-2-methylnitrobenzene1-methyl-2-nitro-4-bromobenzene4-brom-2-nitrotoluolMaybridge1_0020724-bromo-2-nitro-tolueneSCHEMBL375669orb2940056

REACTIONS

参与反应

72 条

750 AstraZeneca ELN dataset

查看

750 AstraZeneca ELN dataset

查看

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524702B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看