| CAS Number | 1147530-76-4 |
| Catalog Number | AG01FNNO(AGN-PC-3H4BGF) |
| Chemical Name | Benzamide, 4-(1,1-dimethylethyl)-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 4-tert-butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C23H30BNO3/c1-21(2,3)17-13-11-16(12-14-17)20(26)25-19-10-8-9-18(15-19)24-27-22(4,5)23(6,7)28-24/h8-15H,1-7H3,(H,25,26) |
| InChI Key | XZLWJBORFAPQRA-UHFFFAOYSA-N |
| MDL Number | MFCD32206550 |
| Molecular Formula | C23H30BNO3 |
| Molecular Weight | 379.3002 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC=C(C(C)(C)C)C=C3 |
| Synonyms | SCHEMBL104107,
AS-74401,
4-tert-butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
1147530-76-4,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.231874g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.3g/mol |
| Monoisotopic Mass | 379.231874g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number