5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 1221502-87-9
Catalog: |
BB005351 |
Product Name: |
5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
1221502-87-9 |
Synonyms: |
5,8-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 5,8-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 5,8-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 1221502-87-9 ) is a useful research chemical. |
Molecular Weight: | 311.09 |
Molecular Formula: | C14H16F2NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C3C(=C2F)NC(=O)CO3)F |
InChI: | InChI=1S/C14H16BF2NO4/c1-13(2)14(3,4)22-15(21-13)7-5-8(16)12-11(10(7)17)18-9(19)6-20-12/h5H,6H2,1-4H3,(H,18,19) |
InChI Key: | MFEBJTMCGUWDLQ-UHFFFAOYSA-N |
LogP: | 1.73290 |
Publication Number | Title | Priority Date |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
Complexity: | 460 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.1140445 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.1140445 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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