| CAS Number | 100991-19-3 |
| Catalog Number | AG009RWK(AGN-PC-07AAH5) |
| Chemical Name | 2-(DIFLUOROMETHYL)-5-PYRIMIDINOL |
| IUPAC Name | 2-(difluoromethyl)pyrimidin-5-ol |
| InChI | InChI=1S/C5H4F2N2O/c6-4(7)5-8-1-3(10)2-9-5/h1-2,4,10H |
| InChI Key | OYNYOGKLXVGLRT-UHFFFAOYSA-N |
| MDL Number | MFCD18822070 |
| Molecular Formula | C5H4F2N2O |
| Molecular Weight | 146.0949 |
| SMILES | OC1=CN=C(C(F)F)N=C1 |
| Synonyms | 2-(Difluoromethyl)pyrimidin-5-ol,
100991-19-3,
2-(DIFLUOROMETHYL)-5-PYRIMIDINOL,
5-Pyrimidinol, 2-(difluoromethyl)- (9CI),
CTK8G4234,
5-pyrimidinol,2-(difluoromethyl)-,
MFCD18822070,
ZINC39052645,
AM806415,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.097g/mol |
| Monoisotopic Mass | 146.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number