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

N-fluoro-p-chlorobenzoyldihydroquininium tetrafluoroborate

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N-fluoro-p-chlorobenzoyldihydroquininium tetrafluoroborate
Catalog OFC358335758
CAS 358335-75-8
Category Other Fluorinated Group Introducing Agents
Synonyms Cinchonanium, 9-[(4-chlorobenzoyl)oxy]-1-fluoro-10,11-dihydro-6'-methoxy-, (8α,9R)-, tetrafluoroborate(1-)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C27H29ClFN2O3.BF4/c1-3-17-16-31(29)13-11-19(17)14-25(31)26(34-27(32)18-4-6-20(28)7-5-18)22-10-12-30-24-9-8-21(33-2)15-23(22)24;2-1(3,4)5/h4-10,12,15,17,19,25-26H,3,11,13-14,16H2,1-2H3;/q+1;-1/t17-,19-,25-,26+,31+;/m0./s1
InChI Key JFGYQEOCPNXEQS-VZYCQDLXSA-N
Canonical SMILES CC[C@H]1C[N@+]2(F)CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc12.F[B-](F)(F)F
Molecular Formula C27H29BClF5N2O3
Molecular Weight 570.795
Exact Mass 570.188

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