| CAS Number | 2246691-80-3 |
| Catalog Number | AG00SIM2(AGN-PC-3H45A4) |
| Chemical Name | 2-methoxy-N-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| IUPAC Name | 2-methoxy-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C16H24BNO4/c1-11-9-12(7-8-13(11)18-14(19)10-20-6)17-21-15(2,3)16(4,5)22-17/h7-9H,10H2,1-6H3,(H,18,19) |
| InChI Key | HIVGMYHVIUGLJK-UHFFFAOYSA-N |
| MDL Number | MFCD31916421 |
| Molecular Formula | C16H24BNO4 |
| Molecular Weight | 305.1771 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C)COC |
| Synonyms | 2246691-80-3,
AS-55397,
2-methoxy-N-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
2-methoxy-N-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.181g/mol |
| Monoisotopic Mass | 305.18g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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