HCID69487014

(2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

tert-butyl N-[2-amino-4-chloro-5-(trifluoromethyl)phenyl]carbamate

C12H14ClF3N2O2310.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)c(Cl)cc1N
InChIKey: LIZHORPIFTUBCO-UHFFFAOYSA-N
分子式: C12H14ClF3N2O2
平均分子量: 310.7 g/mol
单同位素质量: 310.0695899

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 64.4 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 358

ALIASES

名称与别名

共 5 条

(2-Amino-4-chloro-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester579474-56-9SCHEMBL5558133DB-388105tert-butyl (2-amino-4-chloro-5-(trifluoromethyl)phenyl)carbamate

REACTIONS

参与反应

13 条

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

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

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