5-Fluoroindole-2-boronic Acid Pinacol Ester - CAS 1256358-94-7
Catalog: |
BB006166 |
Product Name: |
5-Fluoroindole-2-boronic Acid Pinacol Ester |
CAS: |
1256358-94-7 |
Synonyms: |
5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
IUPAC Name: | 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
Description: | 5-Fluoroindole-2-boronic Acid Pinacol Ester (CAS# 1256358-94-7) is a useful research chemical. |
Molecular Weight: | 261.10 |
Molecular Formula: | C14H17FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C=CC(=C3)F |
InChI: | InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(16)5-6-11(9)17-12/h5-8,17H,1-4H3 |
InChI Key: | MJRYFGMQZMXUTH-UHFFFAOYSA-N |
LogP: | 2.60620 |
Publication Number | Title | Priority Date |
WO-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | 20141010 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1336371 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1336371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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