| CAS Number | 2096331-88-1 |
| Catalog Number | AG01EHEM |
| Chemical Name | 2-Methoxypyrimidine-5-boronic acid HCl |
| IUPAC Name | (2-methoxypyrimidin-5-yl)boronic acid;hydrochloride |
| InChI | InChI=1S/C5H7BN2O3.ClH/c1-11-5-7-2-4(3-8-5)6(9)10;/h2-3,9-10H,1H3;1H |
| InChI Key | WWDINTSCOGZPAJ-UHFFFAOYSA-N |
| MDL Number | MFCD18914512 |
| Molecular Formula | C5H8BClN2O3 |
| Molecular Weight | 190.3926 |
| SMILES | Cl.COC1=NC=C(C=N1)B(O)O |
| Synonyms | 2-Methoxypyrimidine-5-boronic acid HCl,
2096331-88-1,
(2-Methoxypyrimidin-5-yl)boronic acid hydrochloride,
C5H7BN2O3.ClH,
MFCD18914512,
Y2368,
A-3011,
B-9138,
2-Methoxypyrimidine-5-boronic acid hydrochloride,
N/A,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.39g/mol |
| Monoisotopic Mass | 190.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number