| CAS Number | 919496-45-0 |
| Catalog Number | AG01FPPR(AGN-PC-3H5P2H) |
| Chemical Name | N-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide |
| IUPAC Name | N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C15H22BNO4/c1-10(18)17-12-8-7-11(9-13(12)19-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3,(H,17,18) |
| InChI Key | QWERGBIXMFHDSQ-UHFFFAOYSA-N |
| MDL Number | MFCD22494381 |
| Molecular Formula | C15H22BNO4 |
| Molecular Weight | 291.1505 |
| SMILES | CC(NC1=C(OC)C=C(B2OC(C)(C)C(C)(C)O2)C=C1)=O |
| Synonyms | N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
SCHEMBL1743265,
QWERGBIXMFHDSQ-UHFFFAOYSA-N,
AS-73340,
919496-45-0,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.164188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.15g/mol |
| Monoisotopic Mass | 291.164188g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number