Organofluorine / Alfa Chemistry
5-Bromo-4-(2-fluoropropan-2-yl)pyrimidine

5-Bromo-4-(2-fluoropropan-2-yl)pyrimidine

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5-Bromo-4-(2-fluoropropan-2-yl)pyrimidine
Catalog OFC1823944939
CAS 1823944-93-9
Category Fluorinated Pyrimidines
Synonyms 5-Bromo-4-(1-fluoro-1-methyl-ethyl)-pyrimidine
Purity 95%
MDL Number MFCD26954819
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 5-bromo-4-(2-fluoropropan-2-yl)pyrimidine
InChI InChI=1S/C7H8BrFN2/c1-7(2,9)6-5(8)3-10-4-11-6/h3-4H,1-2H3
InChI Key FKVHDULMOZWGBA-UHFFFAOYSA-N
Isomeric SMILES CC(C)(C1=NC=NC=C1Br)F
Molecular Formula C7H8BrFN2
Molecular Weight 219.05
Storage Inert atmosphere, 2-8°C
XLogP3-AA 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 217.98549 g/mol
Monoisotopic Mass 217.98549 g/mol
Topological Polar Surface Area 25.8Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 140

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