| CAS Number | 1491157-36-8 |
| Catalog Number | AG01C7MV |
| Chemical Name | 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one |
| IUPAC Name | 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one |
| InChI | InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-5-6-12-11(9-10)13(18)17-7-8-19-12/h5-6,9H,7-8H2,1-4H3,(H,17,18) |
| InChI Key | CVYNLHFCEWPZOD-UHFFFAOYSA-N |
| MDL Number | MFCD19982653 |
| Molecular Formula | C15H20BNO4 |
| Molecular Weight | 289.1346 |
| SMILES | CC1(C(C)(C)OB(C2=CC3=C(OCCNC3=O)C=C2)O1)C |
| Synonyms | 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one,
1491157-36-8,
SCHEMBL14480543,
CVYNLHFCEWPZOD-UHFFFAOYSA-N,
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one,
|
| Complexity | 410 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number