| CAS Number | 2246615-20-1 |
| Catalog Number | AG01FPVQ(AGN-PC-3H5P61) |
| Chemical Name | 4-methyl-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | 4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C20H24BNO3/c1-14-9-11-15(12-10-14)18(23)22-17-8-6-7-16(13-17)21-24-19(2,3)20(4,5)25-21/h6-13H,1-5H3,(H,22,23) |
| InChI Key | CCYHSPJIZGKVIP-UHFFFAOYSA-N |
| MDL Number | MFCD32206445 |
| Molecular Formula | C20H24BNO3 |
| Molecular Weight | 337.2205 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC=C(C)C=C3 |
| Synonyms | SCHEMBL11987744,
AS-73232,
4-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
2246615-20-1,
|
| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.184924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.2g/mol |
| Monoisotopic Mass | 337.184924g/mol |
| Rotatable Bond Count | 3 |
| 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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