3-Fluoro-4-(methylsulfonyl)phenylboronic Acid Pinacol Ester - CAS 648904-85-2
Catalog: |
BB032585 |
Product Name: |
3-Fluoro-4-(methylsulfonyl)phenylboronic Acid Pinacol Ester |
CAS: |
648904-85-2 |
Synonyms: |
2-(3-fluoro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(3-fluoro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(3-fluoro-4-methylsulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-Fluoro-4-(methylsulfonyl)phenylboronic Acid Pinacol Ester (CAS# 648904-85-2) is a useful research chemical. |
Molecular Weight: | 300.15 |
Molecular Formula: | C13H18FO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)S(=O)(=O)C)F |
InChI: | InChI=1S/C13H18BFO4S/c1-12(2)13(3,4)19-14(18-12)9-6-7-11(10(15)8-9)20(5,16)17/h6-8H,1-5H3 |
InChI Key: | VRFPWIWPAXETRZ-UHFFFAOYSA-N |
LogP: | 2.60920 |
Publication Number | Title | Priority Date |
CN-113195496-A | Imidazopyrazine derivatives as antibacterial agents | 20181217 |
KR-20120079015-A | ì‹\xa0ê·œ novel bicyclic compounds for the regulation of protein-coupled receptors | 20110103 |
US-2013274268-A1 | New bicyclic compound for modulating g protein-coupled receptors | 20110103 |
US-8853213-B2 | Bicyclic compound for modulating G protein-coupled receptors | 20110103 |
WO-2012093809-A2 | New bicyclic compound for modulating g protein-coupled receptors | 20110103 |
Complexity: | 455 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.1002886000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.1002886000001 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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