| CAS Number | 1207174-86-4 |
| Catalog Number | AG01EHDC(AGN-PC-0WAB3M) |
| Chemical Name | 5-Bromo-2-(oxetan-3-yloxy)pyrimidine |
| IUPAC Name | 5-bromo-2-(oxetan-3-yloxy)pyrimidine |
| InChI | InChI=1S/C7H7BrN2O2/c8-5-1-9-7(10-2-5)12-6-3-11-4-6/h1-2,6H,3-4H2 |
| InChI Key | KJZWINUOMLGAPM-UHFFFAOYSA-N |
| MDL Number | MFCD14586420 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | c1c(cnc(n1)OC2COC2)Br |
| Synonyms | 5-BROMO-2-(OXETAN-3-YLOXY)PYRIMIDINE,
1207174-86-4,
5-Bromo-2-(3-oxetanyloxy)pyrimidine,
SCHEMBL20485565,
MFCD14586420,
ZINC45028288,
AKOS025395268,
5-Bromo-2-(oxetan-3-yloxy)-pyrimidine,
A1-00929,
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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