| CAS Number | 1256346-38-9 |
| Catalog Number | AG000O2A(AGN-PC-09PZ0V) |
| Chemical Name | 1H-Pyrazole-4-boronic acid, HCl |
| IUPAC Name | 1H-pyrazol-4-ylboronic acid;hydrochloride |
| InChI | InChI=1S/C3H5BN2O2.ClH/c7-4(8)3-1-5-6-2-3;/h1-2,7-8H,(H,5,6);1H |
| InChI Key | CRKPOXLJKQYRQE-UHFFFAOYSA-N |
| MDL Number | MFCD16618935 |
| Molecular Formula | C3H6BClN2O2 |
| Molecular Weight | 148.3559 |
| SMILES | OB(C1=CNN=C1)O.[H]Cl |
| Synonyms | 1256346-38-9,
(1H-Pyrazol-4-yl)boronic acid hydrochloride,
1H-Pyrazole-4-boronic acid HCl,
1H-Pyrazole-4-boronic acid, HCl,
1H-Pyrazole-4-boronic acid hydrochloride,
C3H5BN2O2.HCl,
1H-Pyrazole-4-boronic acid,hcl,
DTXSID80681674,
MFCD16618935,
AKOS006345444,
AX8227751,
Z8921,
B-3712,
I04-6994,
1H-Pyrazol-4-ylboronic acid--hydrogen chloride (1/1),
Boronic acid, B-1H-pyrazol-4-yl-, hydrochloride (1:1),
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| Complexity | 79.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.353g/mol |
| Monoisotopic Mass | 148.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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