| CAS Number | 1421341-04-9 |
| Catalog Number | AG01BWMS |
| Chemical Name | 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one |
| IUPAC Name | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one |
| InChI | InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-18-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17) |
| InChI Key | AJWPEXJLHLSCCV-UHFFFAOYSA-N |
| MDL Number | MFCD28718087 |
| Molecular Formula | C14H18BNO4 |
| Molecular Weight | 275.108 |
| SMILES | CC1(C(C)(C)OB(C2=CC3=C(NC(OC3)=O)C=C2)O1)C |
| Synonyms | 1421341-04-9,
6-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one,
SCHEMBL14659577,
ZINC204941362,
SY129154,
MFCD28718087 (95%),
2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-6-boronic Acid Pinacol Ester,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.111g/mol |
| Monoisotopic Mass | 275.133g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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