| CAS Number | 882679-88-1 |
| Catalog Number | AG01C0DX |
| Chemical Name | 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C14H20BNO3/c1-9-6-7-10(12(16)17)8-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17) |
| InChI Key | IGWSRFURPVWHEG-UHFFFAOYSA-N |
| MDL Number | MFCD18730410 |
| Molecular Formula | C14H20BNO3 |
| Molecular Weight | 261.1245 |
| SMILES | CC1=C(C=C(C(=O)N)C=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
882679-88-1,
SCHEMBL1347543,
IGWSRFURPVWHEG-UHFFFAOYSA-N,
AKOS030527460,
ZINC202655733,
4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.128g/mol |
| Monoisotopic Mass | 261.154g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number