| CAS Number | 2093041-46-2 |
| Catalog Number | AG01FTM6(AGN-PC-3H60CN) |
| Chemical Name | N,N-diethyl-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | N,N-diethyl-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C18H28BNO4/c1-8-20(9-2)16(21)14-11-10-13(12-15(14)22-7)19-23-17(3,4)18(5,6)24-19/h10-12H,8-9H2,1-7H3 |
| InChI Key | FEQVMGDXOQKERS-UHFFFAOYSA-N |
| MDL Number | MFCD27936091 |
| Molecular Formula | C18H28BNO4 |
| Molecular Weight | 333.2302 |
| SMILES | C(C)N(C(C1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)OC)=O)CC |
| Synonyms | N,N-Diethyl-2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
2093041-46-2,
ZINC170004550,
J3.530.737K,
N,N-Diethyl-o-methoxy-p-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.211139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.2g/mol |
| Monoisotopic Mass | 333.211139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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