| CAS Number | 1263196-50-4 |
| Catalog Number | AG009EX9(AGN-PC-0WOZFI) |
| Chemical Name | B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid |
| IUPAC Name | [1-(oxan-4-yl)pyrazol-4-yl]boronic acid |
| InChI | InChI=1S/C8H13BN2O3/c12-9(13)7-5-10-11(6-7)8-1-3-14-4-2-8/h5-6,8,12-13H,1-4H2 |
| InChI Key | WHGNHCWTWYXXJI-UHFFFAOYSA-N |
| MDL Number | MFCD21099668 |
| Molecular Formula | C8H13BN2O3 |
| Molecular Weight | 196.0114 |
| SMILES | O1CCC(CC1)N1N=CC(=C1)B(O)O |
| Synonyms | 1263196-50-4,
(1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)boronic acid,
SCHEMBL16101793,
WHGNHCWTWYXXJI-UHFFFAOYSA-N,
AKOS015947014,
ZINC203614991,
[1-(oxan-4-yl)-1H-pyrazol-4-yl]boronic acid,
1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-boronic acid,
[1-(oxan-4-yl)pyrazol-4-yl]boronic acid,
B-[1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]boronic Acid,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.013g/mol |
| Monoisotopic Mass | 196.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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