8-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 943994-87-4
Catalog: |
BB041296 |
Product Name: |
8-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
943994-87-4 |
Synonyms: |
8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 8-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 943994-87-4 ) is a useful research chemical. |
Molecular Weight: | 289.13 |
Molecular Formula: | C15H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3C(=C2)NC(=O)CO3)C |
InChI: | InChI=1S/C15H20BNO4/c1-9-6-10(7-11-13(9)19-8-12(18)17-11)16-20-14(2,3)15(4,5)21-16/h6-7H,8H2,1-5H3,(H,17,18) |
InChI Key: | AEWPIRBYFOHBFR-UHFFFAOYSA-N |
LogP: | 1.71020 |
Publication Number | Title | Priority Date |
TW-202003508-A | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions 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 |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.1485383 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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