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Home > Fluorides > 162241-33-0
162241-33-0 | 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-fluoro-, tetrafluoroborate(1-), 4-oxide, tetrafluoroborate(1-) (1:1:1)
CAS No: 162241-33-0 Catalog No: AG001SWY MDL No:
Product Description
Catalog Number:
AG001SWY
Chemical Name:
4-Aza-1-azoniabicyclo[2.2.2]octane, 1-fluoro-, tetrafluoroborate(1-), 4-oxide, tetrafluoroborate(1-) (1:1:1)
CAS Number:
162241-33-0
Molecular Formula:
C6H13B2F9N2O
Molecular Weight:
321.7878
IUPAC Name:
1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate
InChI:
InChI=1S/C6H13FN2O.2BF4/c7-8-1-4-9(10,5-2-8)6-3-8;2*2-1(3,4)5/h10H,1-6H2;;/q+2;2*-1
InChI Key:
DRMMNFGYCLJZKD-UHFFFAOYSA-N
SMILES:
O[N+]12CC[N+](CC1)(CC2)F.F[B-](F)(F)F.F[B-](F)(F)F
EC Number:
418-330-2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.789g/mol
Monoisotopic Mass:
322.107g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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