5-Fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 1221496-98-5
Catalog: |
BB005345 |
Product Name: |
5-Fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
1221496-98-5 |
Synonyms: |
5-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 5-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 5-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 5-Fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 1221496-98-5 ) is a useful research chemical. |
Molecular Weight: | 293.10 |
Molecular Formula: | C14H17FNO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C3=C(C=C2)OCC(=O)N3)F |
InChI: | InChI=1S/C14H17BFNO4/c1-13(2)14(3,4)21-15(20-13)8-5-6-9-12(11(8)16)17-10(18)7-19-9/h5-6H,7H2,1-4H3,(H,17,18) |
InChI Key: | PMFIANTYUNEWNC-UHFFFAOYSA-N |
LogP: | 1.59380 |
Publication Number | Title | Priority Date |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.1234664 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.1234664 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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