| CAS Number | 2056919-38-9 |
| Catalog Number | AG01FL7H(AGN-PC-3H4B2F) |
| Chemical Name | N-isobutyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide |
| IUPAC Name | N-(2-methylpropyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C18H28BNO4/c1-13(2)11-20-16(21)12-22-15-9-7-8-14(10-15)19-23-17(3,4)18(5,6)24-19/h7-10,13H,11-12H2,1-6H3,(H,20,21) |
| InChI Key | CDUNRXUMAABPAV-UHFFFAOYSA-N |
| MDL Number | MFCD31916482 |
| Molecular Formula | C18H28BNO4 |
| Molecular Weight | 333.2302 |
| SMILES | C(C(C)C)NC(COC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | 2056919-38-9,
AS-55535,
N-(2-methylpropyl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide,
N-isobutyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.235g/mol |
| Monoisotopic Mass | 333.211g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 56.8A^2 |
| 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