| CAS Number | 1011731-99-9 |
| Catalog Number | AG01FNW0(AGN-PC-3H5NJJ) |
| Chemical Name | N,N,2-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | N,N,2-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C16H24BNO3/c1-11-10-12(8-9-13(11)14(19)18(6)7)17-20-15(2,3)16(4,5)21-17/h8-10H,1-7H3 |
| InChI Key | CCVQRQAYAOUDGP-UHFFFAOYSA-N |
| MDL Number | MFCD18732734 |
| Molecular Formula | C16H24BNO3 |
| Molecular Weight | 289.1777 |
| SMILES | CC1=C(C(N(C)C)=O)C=CC(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 1011731-99-9,
SCHEMBL2799366,
N,N,2-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
ZINC201291787,
AS-72894,
A1-10497,
2,n,n-trimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide,
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| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.184924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.2g/mol |
| Monoisotopic Mass | 289.184924g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number