Organofluorine / Alfa Chemistry
N-fluoro-p-nitrobenzoylquininium tetrafluoroborate

N-fluoro-p-nitrobenzoylquininium tetrafluoroborate

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N-fluoro-p-nitrobenzoylquininium tetrafluoroborate
Catalog OFC403699901
CAS 403699-90-1
Category Other Fluorinated Group Introducing Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C27H27FN3O5.BF4/c1-3-17-16-31(28)13-11-19(17)14-25(31)26(36-27(32)18-4-6-20(7-5-18)30(33)34)22-10-12-29-24-9-8-21(35-2)15-23(22)24;2-1(3,4)5/h3-10,12,15,17,19,25-26H,1,11,13-14,16H2,2H3;/q+1;-1/t17-,19-,25-,26+,31+;/m0./s1
InChI Key VZCDBNGAUMADKP-VZYCQDLXSA-N
Canonical SMILES C=C[C@H]1C[N@+]2(F)CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccnc2ccc(OC)cc12.F[B-](F)(F)F
Molecular Formula C27H27BF5N3O5
Molecular Weight 579.331
Exact Mass 579.1964

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