| Sonrisas canónicas | C1=C(C=NC(=N1)OCC(F)F)Br |
|---|---|
| IUPAC Name | 5-bromo-2-(2,2-difluoroethoxy)pyrimidine |
| InChIKey | MLYBHGMRHXYECK-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrF2N2O/c7-4-1-10-6(11-2-4)12-3-5(8)9/h1-2,5H,3H2 |
| Peso molecular | 239.02 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Halopyrimidine - Aryl bromide - Aryl halide - Heteroaromatic compound - Ether - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 239.020 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.955 Da |
| Monoisotopic Mass | 237.955 Da |
| Topological Polar Surface Area | 35.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
