![(5aR,10bS)-(+)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate, min. 98%](https://resource.alfa-chemistry.com/structure/872143-57-2.gif)
Synonyms
872143-57-2;(5aR,10bS)-(+)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]trizolo[4,3-d][1,4]oxazinium tetrafluoroborate;5a(R),10b(S)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate;DTXSID00468363;MFCD08457666;C-0102;(5aR,10bS)-(+)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]trizolo[4,3-d][1,4]oxazinium BF4;2-Pentafluorophenyl-6,10b-dihydro-4H,5aH-5-oxo-3,10c-diaza-2-azoniacyclopenta[c]fluorine tetrafluoroborate;
IUPAC Name
(1S,9R)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate;
Molecular Weight
467.102g/mol
Molecular Formula
C18H11BF9N3O;
Canonical SMILES
[B-](F)(F)(F)F.C1C2C(C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F;
InChI
InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m1./s1;
InChI Key
CPCMDOOTVHDRTM-CVJFODCESA-N;
Storage
2-8°C
Complexity
576
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
467.085g/mol
H-Bond Acceptor
12
Heavy Atom Count
32
Monoisotopic Mass
467.085g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
30.9A^2
