| CAS Number | 1361110-65-7 |
| Catalog Number | AG01C82R |
| Chemical Name | tert-butyl 8-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate |
| IUPAC Name | tert-butyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate |
| InChI | InChI=1S/C20H30BNO5/c1-18(2,3)25-17(23)22-10-11-24-16-12-15(9-8-14(16)13-22)21-26-19(4,5)20(6,7)27-21/h8-9,12H,10-11,13H2,1-7H3 |
| InChI Key | AZYLRHPNPQAURO-UHFFFAOYSA-N |
| MDL Number | MFCD14582641 |
| Molecular Formula | C20H30BNO5 |
| Molecular Weight | 375.2669 |
| SMILES | CC(OC(N1CC2=C(C=C(B3OC(C)(C)C(C)(C)O3)C=C2)OCC1)=O)(C)C |
| Synonyms | 4-BOC-1,4-BENZOXAZEPANE-8-BORONIC ACID PINACOL ESTER,
1361110-65-7,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.272g/mol |
| Monoisotopic Mass | 375.222g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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