| CAS Number | 1872388-26-5 |
| Catalog Number | AG01FL7L(AGN-PC-3H4B2H) |
| Chemical Name | 4-tert-butyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | 4-tert-butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C23H30BNO3/c1-21(2,3)17-10-8-16(9-11-17)20(26)25-19-14-12-18(13-15-19)24-27-22(4,5)23(6,7)28-24/h8-15H,1-7H3,(H,25,26) |
| InChI Key | RJOFUMDOQVNIHQ-UHFFFAOYSA-N |
| MDL Number | MFCD31916484 |
| Molecular Formula | C23H30BNO3 |
| Molecular Weight | 379.3002 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C3=CC=C(C(C)(C)C)C=C3 |
| Synonyms | 1872388-26-5,
4-tert-butyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide,
4-tert-butyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
AS-55537,
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| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.307g/mol |
| Monoisotopic Mass | 379.232g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number