2-Fluoro-3-methoxyphenylboronic Acid Pinacol Ester - CAS 1165936-00-4
Catalog: |
BB003774 |
Product Name: |
2-Fluoro-3-methoxyphenylboronic Acid Pinacol Ester |
CAS: |
1165936-00-4 |
Synonyms: |
2-(2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2-Fluoro-3-methoxyphenylboronic Acid Pinacol Ester (CAS# 1165936-00-4) is a useful research chemical. |
Molecular Weight: | 252.09 |
Molecular Formula: | C13H18FO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)OC)F |
InChI: | InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(16-5)11(9)15/h6-8H,1-5H3 |
InChI Key: | MALXDJBHSGDLGF-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD16618962 |
LogP: | 2.13350 |
Publication Number | Title | Priority Date |
AU-2018340505-A1 | Novel heterocyclic compounds as modulators of mGluR7 | 20170926 |
CA-3075954-A1 | Novel heterocyclic compounds as modulators of mglur7 | 20170926 |
EP-3459939-A1 | Novel heterocyclic compounds as modulators of mglur7 | 20170926 |
EP-3672950-A1 | Novel heterocyclic compounds as modulators of mglur7 | 20170926 |
WO-2019063596-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 | 20170926 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1333028 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1333028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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