Organofluorine / Alfa Chemistry
1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one

1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one

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1-(((4-Chlorobenzyl)oxy)methyl)-5-fluoropyrimidin-2(1H)-one
Catalog OFC88045914
CAS 88045-91-4
Category Fluorinated Pyrimidines
Synonyms 1-(4-Chlorobenzyloxy)methyl-5-fluoropyrimidin-2-one
Purity 97%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 1-[(4-chlorophenyl)methoxymethyl]-5-fluoropyrimidin-2-one
InChI InChI=1S/C12H10ClFN2O2/c13-10-3-1-9(2-4-10)7-18-8-16-6-11(14)5-15-12(16)17/h1-6H,7-8H2
InChI Key ZZMXIVCILOZYLR-UHFFFAOYSA-N
Isomeric SMILES C1=CC(=CC=C1COCN2C=C(C=NC2=O)F)Cl
Molecular Formula C12H10ClFN2O2
Molecular Weight 268.67
XLogP3-AA 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 268.0414834 g/mol
Monoisotopic Mass 268.0414834 g/mol
Topological Polar Surface Area 41.9Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 365

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