Pyrazole-3-boronic Acid Hydrate - CAS 1310383-92-6
Catalog: |
BB007231 |
Product Name: |
Pyrazole-3-boronic Acid Hydrate |
CAS: |
1310383-92-6 |
Synonyms: |
1H-pyrazol-5-ylboronic acid;hydrate; 1H-pyrazol-5-ylboronic acid;hydrate |
IUPAC Name: | 1H-pyrazol-5-ylboronic acid;hydrate |
Description: | Pyrazole-3-boronic Acid Hydrate (CAS# 1310383-92-6 ) is a useful research chemical. |
Molecular Weight: | 129.91 |
Molecular Formula: | C3H7N2O3B |
Canonical SMILES: | B(C1=CC=NN1)(O)O.O |
InChI: | InChI=1S/C3H5BN2O2.H2O/c7-4(8)3-1-2-5-6-3;/h1-2,7-8H,(H,5,6);1H2 |
InChI Key: | NXQCQMBEFQLICU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-3083617-B1 | Isochromene derivatives as phosphoinositide 3-kinases inhibitors | 20131218 |
US-2015166549-A1 | Isochromene derivatives as phoshoinositide 3-kinases inhibitors | 20131218 |
US-9321776-B2 | Isochromene derivatives as phoshoinositide 3-kinases inhibitors | 20131218 |
CA-2922341-A1 | Substituted indole mcl-1 inhibitors | 20130828 |
US-10005728-B2 | Substituted indole Mcl-1 inhibitors | 20130828 |
Complexity: | 79.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.0549723 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.0549723 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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