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2D Structure
Also known as: 79060-88-1, Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, Nabarf, Pc1999, Sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide, Mfcd00043323
Molecular Formula
C32H12BF24Na
Molecular Weight
886.2  g/mol
InChI Key
LTGMONZOZHXAHO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
2.1.2 InChI
InChI=1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
2.1.3 InChI Key
LTGMONZOZHXAHO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 79060-88-1

2. Sodium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

3. Nabarf

4. Pc1999

5. Sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

6. Mfcd00043323

7. C32h12bf24na

8. Schembl226082

9. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate

10. Dtxsid70635585

11. Amy39139

12. Bcp18675

13. Akos015900300

14. Cs-w007369

15. As-10729

16. Sy046767

17. Ft-0676911

18. S0447

19. A839564

20. Sodium Tetrakis(3,5-bis-trifluoromethylphenyl)borate

21. Tetrakis[3,5-bis(trifluoromethyl)phenyl]boron Sodium

22. Sodiotetrakis[3,5-bis(trifluoromethyl)phenyl] Boron(v)

23. Benzene, 1,3-bis(trifluoromethyl)-, Boron Complex, Nabarf

24. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-)

25. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate, Selectophore(tm)

26. Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;sodium Tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 886.2 g/mol
Molecular Formula C32H12BF24Na
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count25
Rotatable Bond Count0
Exact Mass886.0546507 g/mol
Monoisotopic Mass886.0546507 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count58
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2