기본 정보
- CAS
204906-20-7- 표준 SMILES
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.[C-]#[O+].[C-]#[O+].[Rh]- InChIKey
CFGZZTWQERTIEI-UHFFFAOYSA-M- 분자식
- C50H33F21O5P3RhS-
- 평균 분자량
- 1,340.7 g/mol
- 단동위원소 질량
- 1,339.99812
이름 및 식별자
- 우선 이름
- (Rh(CO)2(CF3PPP))(OTf)
- IUPAC
- [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;carbon monoxide;rhodium;trifluoromethanesulfonate
이름 및 동의어
(Rh(CO)2(CF3PPP))(OTf)204906-20-7[Rh(CO)2(CF3PPP)](OTf)Rhodium(1+), ((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; carbon monoxide; rhodium(1+); trifluoromethanesulfonic acidRhodium(1+), [[2-[[bis[3-(trifluoromethyl)phenyl]phosphino- .kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3-(trifluoromethyl)phenyl]phosphine-.kappa.P]]dicarbonyl-, (TB-5-12)-, salt with trifluoromethanesulfonic acid (1:1)
데이터베이스 식별자
- CAS
204906-20-7- PubChem CID
- 492252
물성
구조 계산 물성
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 81
- 형식 전하
- -1
- 복잡도
- 1,450
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