2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid - CAS 1613450-45-5
Catalog: |
BB011731 |
Product Name: |
2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid |
CAS: |
1613450-45-5 |
Synonyms: |
(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid; (2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid |
IUPAC Name: | (2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid |
Description: | 2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid (CAS# 1613450-45-5 ) is a useful research chemical. |
Molecular Weight: | 221.02 |
Molecular Formula: | C10H12NO4B |
Canonical SMILES: | B(C1=CC2=C(C=C1)OC(C(=O)N2)(C)C)(O)O |
InChI: | InChI=1S/C10H12BNO4/c1-10(2)9(13)12-7-5-6(11(14)15)3-4-8(7)16-10/h3-5,14-15H,1-2H3,(H,12,13) |
InChI Key: | YXCLOMVQWARTIR-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.085938 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.085938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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