5-Methylisoxazole-4-boronic Acid Pinacol Ester - CAS 1346808-41-0
Catalog: |
BB007990 |
Product Name: |
5-Methylisoxazole-4-boronic Acid Pinacol Ester |
CAS: |
1346808-41-0 |
Synonyms: |
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole; 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole |
IUPAC Name: | 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole |
Description: | 5-Methylisoxazole-4-boronic Acid Pinacol Ester (CAS# 1346808-41-0) is a useful research chemical compound. |
Molecular Weight: | 209.05 |
Molecular Formula: | C10H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2)C |
InChI: | InChI=1S/C10H16BNO3/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3 |
InChI Key: | VWYZENWRLMNXDO-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.28220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019504009-A | New compound | 20151217 |
US-2020172516-A1 | Novel Compounds | 20151217 |
US-11130748-B2 | Compounds | 20151217 |
AU-2016361441-A1 | Bicyclic BET bromodomain inhibitors and uses thereof | 20151125 |
EP-3380469-A1 | Bicyclic bet bromodomain inhibitors and uses thereof | 20151125 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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