| CAS Number | 1688701-62-3 |
| Catalog Number | AG00RW6Z(AGN-PC-3H459N) |
| Chemical Name | 2-methyl-N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide |
| IUPAC Name | 2-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide |
| InChI | InChI=1S/C16H24BNO3/c1-11(2)14(19)18-13-9-7-8-12(10-13)17-20-15(3,4)16(5,6)21-17/h7-11H,1-6H3,(H,18,19) |
| InChI Key | RXVNGGUZQHNTQO-UHFFFAOYSA-N |
| MDL Number | MFCD31916419 |
| Molecular Formula | C16H24BNO3 |
| Molecular Weight | 289.1777 |
| SMILES | CC1(C)OB(OC1(C)C)c1cc(NC(=O)C(C)C)ccc1 |
| Synonyms | 1688701-62-3,
AS-55395,
2-methyl-N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide,
2-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide,
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| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.182g/mol |
| Monoisotopic Mass | 289.185g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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