4-(1H-1,2,3-Triazol-1-yl)phenylboronic Acid Pinacol Ester - CAS 1101174-00-8
Catalog: |
BB002595 |
Product Name: |
4-(1H-1,2,3-Triazol-1-yl)phenylboronic Acid Pinacol Ester |
CAS: |
1101174-00-8 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole |
Description: | 4-(1H-1,2,3-Triazol-1-yl)phenylboronic Acid Pinacol Ester (CAS# 1101174-00-8) is a useful research chemical. |
Molecular Weight: | 271.12 |
Molecular Formula: | C14H18N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C=CN=N3 |
InChI: | InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-5-7-12(8-6-11)18-10-9-16-17-18/h5-10H,1-4H3 |
InChI Key: | QITCHNCEDJSMAY-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 1.56650 |
Publication Number | Title | Priority Date |
US-10703757-B2 | Compounds and methods for CDK8 modulation and indications therefor | 20161223 |
US-2018215763-A1 | Compounds and methods for cdk8 modulation and indications therefor | 20161223 |
EP-2770987-A1 | Novel compounds that are erk inhibitors | 20111027 |
EP-2770987-B1 | Novel compounds that are erk inhibitors | 20111027 |
US-2014296203-A1 | Novel compounds that are erk inhibitors | 20111027 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.149207 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.149207 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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