Products 958876-42-1

CAS 958876-42-1 is the registry number for 2-(Perfluorophenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate, 98%. Offered by: Chemat Brand. Available pack sizes: on request.

2-(Perfluorophenyl)-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

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 (CAS 958876-42-1) is a chemical compound with the molecular formula C18H11BF9N3O and a molecular weight of 467.1 g/mol. IUPAC name: 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. InChIKey: CPCMDOOTVHDRTM-UHFFFAOYSA-N.

Identity
Molecular formulaC18H11BF9N3O
Molecular weight467.1 g/mol
IUPAC name4-(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
InChIKeyCPCMDOOTVHDRTM-UHFFFAOYSA-N
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

Computed by PubChem (NCBI)

Related forms of this compound
(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 C18H11BF9N3O
(1R,9S)-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 C18H11BF9N3O