| CAS Number | 2171363-38-3 |
| Catalog Number | AG01FPHJ(AGN-PC-3H5OO9) |
| Chemical Name | Benzamide, N-[4-(1-methylethyl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | N-(4-propan-2-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C22H28BNO3/c1-15(2)16-10-12-19(13-11-16)24-20(25)17-8-7-9-18(14-17)23-26-21(3,4)22(5,6)27-23/h7-15H,1-6H3,(H,24,25) |
| InChI Key | FBCJDFWUGUCZEM-UHFFFAOYSA-N |
| MDL Number | MFCD32206530 |
| Molecular Formula | C22H28BNO3 |
| Molecular Weight | 365.2736 |
| SMILES | C(C)(C)C1=CC=C(C=C1)NC(C1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | AS-74195,
N-[4-(propan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
2171363-38-3,
|
| Complexity | 510 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.216224g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.3g/mol |
| Monoisotopic Mass | 365.216224g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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