Organofluorine / Alfa Chemistry
1-(1-fluoro-2-pyrrolidino-2-oxoethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium bromide

1-(1-fluoro-2-pyrrolidino-2-oxoethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium bromide

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1-(1-fluoro-2-pyrrolidino-2-oxoethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium bromide
Catalog OFC1472102650
CAS 1472102-65-0
Category Fluorinated Amides
Synonyms 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-[1-fluoro-2-oxo-2-(1-pyrrolidinyl)ethyl]-, bromide
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C12H21FN3O.BrH/c13-11(12(17)15-3-1-2-4-15)16-8-5-14(6-9-16)7-10-16;/h11H,1-10H2;1H/q+1;/p-1
InChI Key GRQYAXSEHZCEFL-UHFFFAOYSA-M
Canonical SMILES O=C(C(F)[N+]12CCN(CC1)CC2)N1CCCC1.[Br-]
Molecular Formula C12H21BrFN3O
Molecular Weight 322.222
Melting Point 157-159 °C
Appearance Colourless solid
Exact Mass 321.0852

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