| CAS Number | 1193244-89-1 |
| Catalog Number | AG000IL3(AGN-PC-0CF9P0) |
| Chemical Name | 2-Pyrimidinemethanol, 5-bromo-α,α-dimethyl- |
| IUPAC Name | 2-(5-bromopyrimidin-2-yl)propan-2-ol |
| InChI | InChI=1S/C7H9BrN2O/c1-7(2,11)6-9-3-5(8)4-10-6/h3-4,11H,1-2H3 |
| InChI Key | MLMQILHYEBYWHX-UHFFFAOYSA-N |
| MDL Number | MFCD19543861 |
| Molecular Formula | C7H9BrN2O |
| Molecular Weight | 217.0632 |
| SMILES | CC(O)(C1=NC=C(Br)C=N1)C |
| Synonyms | 2-(5-bromopyrimidin-2-yl)propan-2-ol,
1193244-89-1,
2-Pyrimidinemethanol, 5-bromo-alpha,alpha-dimethyl-,
SCHEMBL1404057,
MLMQILHYEBYWHX-UHFFFAOYSA-N,
MFCD19543861,
ZINC72192340,
AKOS015942639,
DA-14709,
CS-0036723,
FT-0718119,
2-Pyrimidinemethanol, 5-bromo-?,?-dimethyl-,
2-(5-Bromopyrimidin-2-yl)propan-2-ol9-boc-3,9-diaza-bicyclo[3.3.1]nonane,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.066g/mol |
| Monoisotopic Mass | 215.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number