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Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate xhydrate

Catalog Number ACM455330377
CAS 455330-37-7
Structure {[CurrentData.Name]}
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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