| CAS Number | 1146157-79-0 |
| Catalog Number | AG01FNSE(AGN-PC-3H4BI7) |
| Chemical Name | Benzamide,N-ethyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- |
| IUPAC Name | N-ethyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C16H24BNO3/c1-7-18-14(19)13-9-8-12(10-11(13)2)17-20-15(3,4)16(5,6)21-17/h8-10H,7H2,1-6H3,(H,18,19) |
| InChI Key | XMSCLCOKEWRXSU-UHFFFAOYSA-N |
| MDL Number | MFCD22494147 |
| Molecular Formula | C16H24BNO3 |
| Molecular Weight | 289.1777 |
| SMILES | O=C(NCC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1C |
| Synonyms | N-ethyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
SCHEMBL455814,
XMSCLCOKEWRXSU-UHFFFAOYSA-N,
ZINC203558649,
AS-73228,
N-ethyl-2-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide,
1146157-79-0,
|
| Complexity | 381 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.2g/mol |
| Monoisotopic Mass | 289.184924g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number