| CAS Number | 1629585-32-5 |
| Catalog Number | AG01DVSF(AGN-PC-0WOMDP) |
| Chemical Name | 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2h-1,4-benzoxazin-3-one |
| IUPAC Name | 2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one |
| InChI | InChI=1S/C15H20BNO4/c1-9-13(18)17-11-8-10(6-7-12(11)19-9)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3,(H,17,18) |
| InChI Key | NCJQRPLCUOATGN-UHFFFAOYSA-N |
| MDL Number | MFCD28901439 |
| Molecular Formula | C15H22BNO3 |
| Molecular Weight | 275.1511 |
| SMILES | CC1OC2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)NC1 |
| Synonyms | 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one,
1629585-32-5,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.138g/mol |
| Monoisotopic Mass | 289.149g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number