3-Fluoro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1082066-29-2
Catalog: |
BB002200 |
Product Name: |
3-Fluoro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1082066-29-2 |
Synonyms: |
[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 3-Fluoro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1082066-29-2 ) is a useful research chemical. |
Molecular Weight: | 252.09 |
Molecular Formula: | C13H18FO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CO)F |
InChI: | InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7,16H,8H2,1-4H3 |
InChI Key: | WFGVQMPAZWWWDG-UHFFFAOYSA-N |
LogP: | 1.61720 |
Publication Number | Title | Priority Date |
US-2020131159-A1 | Positive allosteric modulators of the muscarinic acetylcholine receptor m1 | 20181024 |
US-2020131180-A1 | Positive allosteric modulators of the muscarinic acetylcholine receptor m1 | 20181024 |
US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
US-2018194762-A1 | PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE | 20170106 |
US-2010261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | 20081002 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1333028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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