| CAS Number | 874299-08-8 |
| Catalog Number | AG00IEKP(AGN-PC-0WQWVD) |
| Chemical Name | 3-(2-methylpropyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2-methylpropyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C17H27BN2O3/c1-12(2)11-19-15(21)20-14-9-7-8-13(10-14)18-22-16(3,4)17(5,6)23-18/h7-10,12H,11H2,1-6H3,(H2,19,20,21) |
| InChI Key | NZUAGZUVXVGWLY-UHFFFAOYSA-N |
| MDL Number | MFCD22494380 |
| Molecular Formula | C17H27BN2O3 |
| Molecular Weight | 318.2189 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)NC(=O)NCC(C)C |
| Synonyms | 1-Isobutyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
874299-08-8,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.224g/mol |
| Monoisotopic Mass | 318.211g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.6A^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