7-Fluoro-1-oxoisoindoline-5-boronic Acid Pinacol Ester - CAS 957346-40-6
Catalog: |
BB041835 |
Product Name: |
7-Fluoro-1-oxoisoindoline-5-boronic Acid Pinacol Ester |
CAS: |
957346-40-6 |
Synonyms: |
7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one; 7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one |
IUPAC Name: | 7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one |
Description: | 7-Fluoro-1-oxoisoindoline-5-boronic Acid Pinacol Ester (CAS# 957346-40-6 ) is a useful research chemical. |
Molecular Weight: | 277.10 |
Molecular Formula: | C14H17FNO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)C(=O)NC3 |
InChI: | InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)9-5-8-7-17-12(18)11(8)10(16)6-9/h5-6H,7H2,1-4H3,(H,17,18) |
InChI Key: | DKPBQEJXCUYIOU-UHFFFAOYSA-N |
LogP: | 1.69710 |
Publication Number | Title | Priority Date |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
BR-PI0712531-A2 | triazolopyrazine compound useful for the treatment of degenerative and inflammatory diseases | 20060531 |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.1285517 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.1285517 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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