8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 943994-43-2
Catalog: |
BB041293 |
Product Name: |
8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester |
CAS: |
943994-43-2 |
Synonyms: |
8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one; 8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
Description: | 8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 943994-43-2 ) is a useful research chemical. |
Molecular Weight: | 309.55 |
Molecular Formula: | C14H17ClNO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)Cl)OCC(=O)N3 |
InChI: | InChI=1S/C14H17BClNO4/c1-13(2)14(3,4)21-15(20-13)8-5-9(16)12-10(6-8)17-11(18)7-19-12/h5-6H,7H2,1-4H3,(H,17,18) |
InChI Key: | IHGPIUMNZPHCDT-UHFFFAOYSA-N |
LogP: | 2.10810 |
Publication Number | Title | Priority Date |
US-2010094000-A1 | Pyrazole compounds | 20080903 |
CA-2635541-A1 | Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands | 20051228 |
JP-2009523701-A | Fused heterocyclic compounds and uses thereof | 20051228 |
US-2009253687-A1 | Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands | 20051228 |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.0939159 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.0939159 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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