4-Acetamido-3-fluorophenylboronic Acid Pinacol Ester - CAS 269410-27-7
Catalog: |
BB019420 |
Product Name: |
4-Acetamido-3-fluorophenylboronic Acid Pinacol Ester |
CAS: |
269410-27-7 |
Synonyms: |
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide; N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
IUPAC Name: | N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
Description: | 4-Acetamido-3-fluorophenylboronic Acid Pinacol Ester (CAS# 269410-27-7) is a useful research chemical. |
Molecular Weight: | 279.11 |
Molecular Formula: | C14H19FNO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)C)F |
InChI: | InChI=1S/C14H19BFNO3/c1-9(18)17-12-7-6-10(8-11(12)16)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18) |
InChI Key: | LCMXRFQDZUWQLO-UHFFFAOYSA-N |
Boiling Point: | 414 °C at 760 mmHg |
Density: | 1.13 g/cm3 |
LogP: | 2.15630 |
Publication Number | Title | Priority Date |
EP-3049406-A1 | Substituted phenylalanine derivatives and use thereof to treat thrombotic/thromboembolic diseases | 20130926 |
US-2016237044-A1 | Substituted phenylalanine derivatives | 20130926 |
WO-2015044170-A1 | Substituted phenylalanine derivatives and use thereof to treat thrombotic/thromboembolic diseases | 20130926 |
AU-2012250576-A1 | Novel compounds as modulators of protein kinases | 20110504 |
DK-2705029-T3 | Hitherto UNKNOWN RELATIONS AS MODULATORS OF PROTEIN KINASES | 20110504 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.1442018 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.1442018 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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