基本情報
- CAS
204906-26-3- 標準SMILES
CC#N.CC(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.O=S(=O)([O-])C(F)(F)F.[Cl-].[Cl-].[Rh+3]- InChIKey
ZMMORKOHGMHLMO-UHFFFAOYSA-K- 分子式
- C50H36Cl2F21NO3P3RhS
- 平均分子量
- 1,396.6 g/mol
- 単同位体質量
- 1,394.97254
名称と識別子
- 優先名称
- (RhCl2(MeCN)(CF3PPP))(OTf)
- IUPAC
- acetonitrile;[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;rhodium(3+);trifluoromethanesulfonate;dichloride
名称と別名
(RhCl2(MeCN)(CF3PPP))(OTf)204906-26-3Rhodium(1+), (acetonitrile)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))dichloro-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:1)[RhCl2(MeCN)(CF3PPP)](OTf)acetonitrile; [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; rhodium(3+); trifluoromethanesulfonic acidRhodium(1+), (acetonitrile)[[2-[[bis[3-(trifluoromethyl)phenyl]phosphino- .kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3-(trifluoromethyl)phenyl]phosphine-.kappa.P]]dichloro-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:1)
データベース識別子
- CAS
204906-26-3- PubChem CID
- 492256
物性
構造計算による物性
- 極性表面積
- 89.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 27
- 回転可能結合数
- 12
- 重原子数
- 82
- 形式電荷
- 0
- 複雑度
- 1,470
関連反応
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