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Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate xhydrate
| Catalog Number | ACM455330377 |
| CAS | 455330-37-7 |
| Structure |  |
| IUPAC Name | sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;hydrate |
| Synonyms | 455330-37-7;Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate xhydrate;Nabarf hydrate;MFCD20259651;AKOS025310040;GS-3520;Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate hydrate;sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide hydrate;sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;hydrate |
| Molecular Weight | 904.2g/mol |
| Molecular Formula | C32H14BF24NaO |
| 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.O.[Na+] |
| InChI | InChI=1S/C32H12BF24.Na.H2O/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;;1H2/q-1;+1; |
| InChI Key | HWQYENOITDMKQG-UHFFFAOYSA-N |
| Complexity | 1060 |
| Covalently-Bonded Unit Count | 3 |
| Exact Mass | 904.0652154g/mol |
| Heavy Atom Count | 59 |
| Hydrogen Bond Acceptor Count | 26 |
| Monoisotopic Mass | 904.0652154g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1Ų |
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