HCID183558

4-Bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile

C13H7BrClF3N2363.56 g/molCAS 122453-72-9

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IDENTITY

结构与身份

标准SMILES: Cn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F
InChIKey: MXCIGSYOLDBUKU-UHFFFAOYSA-N
分子式: C13H7BrClF3N2
平均分子量: 363.56 g/mol
单同位素质量: 361.94332

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 28.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 20
形式电荷: 0
复杂度: 400

ALIASES

名称与别名

共 11 条

122453-72-94-bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrileDTXSID10153617RefChem:1070384DTXCID20761082-(4-CHLOROPHENYL)-4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRROLE-3-CARBONITRILE4-Bromo-2-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrileSCHEMBL7548622SCHEMBL8994449p-Chlorophenyl-4-bromo-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile4-bromo-2-(p-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrrole-3-carbonitrile

REACTIONS