1,2-Benzisoxazole-5-boronic Acid Pinacol Ester - CAS 837392-66-2
Catalog: |
BB037086 |
Product Name: |
1,2-Benzisoxazole-5-boronic Acid Pinacol Ester |
CAS: |
837392-66-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole |
Description: | 1,2-Benzisoxazole-5-boronic Acid Pinacol Ester (CAS# 837392-66-2) is a useful research chemical. |
Molecular Weight: | 245.08 |
Molecular Formula: | C13H16NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)ON=C3 |
InChI: | InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3 |
InChI Key: | ODSQMJSTZMKVEO-UHFFFAOYSA-N |
LogP: | 2.12700 |
Publication Number | Title | Priority Date |
JP-2009185008-A | Compound having glycine transporter inhibitory activity | 20080208 |
AU-2004259765-B2 | Thienopyridine and furopyridine kinase inhibitors | 20030724 |
AU-2009251083-A1 | Thienopyridine and furopyridine kinase inhibitors | 20030724 |
AU-2009251083-B2 | Thienopyridine and furopyridine kinase inhibitors | 20030724 |
CA-2532982-A1 | Thienopyridine and furopyridine kinase inhibitors | 20030724 |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1223235 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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