HCID22145617

Water TFA acetonitrile

acetonitrile;2,2,2-trifluoroacetic acid;hydrate

C4H6F3NO3173.09 g/mol

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IDENTITY

结构与身份

标准SMILES: CC#N.O.O=C(O)C(F)(F)F
InChIKey: GLRAHDCHUZLKKC-UHFFFAOYSA-N
分子式: C4H6F3NO3
平均分子量: 173.09 g/mol
单同位素质量: 173.02997754

COMPUTED

结构计算性质

已同步

极性表面积: 62.1 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 113

ALIASES

名称与别名

共 14 条

Water TFA acetonitrileTFA MeCN wateracetonitrile H2O-TFAacetonitrile water TFATFA H2O acetonitrilewater acetonitrile TFAACN H2O TFATFA ACN H2OCH3CN H2O TFATFA H2O CH3CNSCHEMBL128012acetonitrile water trifluoroacetic acidtrifluoroacetic acid water acetonitrilewater acetonitrile trifluoroacetic acid

REACTIONS