HCID2733263

1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene

C8H3ClF3NO221.56 g/molCAS 50528-86-4

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IDENTITY

结构与身份

标准SMILES: O=C=Nc1cc(C(F)(F)F)ccc1Cl
InChIKey: WEPYOPYMWSHRIW-UHFFFAOYSA-N
分子式: C8H3ClF3NO
平均分子量: 221.56 g/mol
单同位素质量: 220.9855259

COMPUTED

结构计算性质

等待补全

XLogP: 4.2
极性表面积: 29.4 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 249

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 34 条

50528-86-41-chloro-2-isocyanato-4-(trifluoromethyl)benzeneRefChem:431228625-594-42-Chloro-5-(trifluoromethyl)phenyl isocyanateIsocyanic Acid 2-Chloro-5-(trifluoromethyl)phenyl EsterMFCD000370292-chloro-5-trifluoromethylphenyl isocyanate2-chloro-5-(trifluoromethyl)benzenisocyanate2-Chloro-5-(trifluoromethyl)phenylisocyanateSorafenib Impurity 32SCHEMBL58769Benzene, 1-chloro-2-isocyanato-4-(trifluoromethyl)-SCHEMBL30534235DTXSID50369816ALBB-003058BBL037675GEO-00820SBB006656STK502578

REACTIONS