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Catalog | OFC88045914 |
CAS | 88045-91-4 |
Category | Fluorinated Pyrimidines |
Synonyms | 1-(4-Chlorobenzyloxy)methyl-5-fluoropyrimidin-2-one |
Purity | 97% |
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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 |
Please kindly note that our products and services are for research use only.