| CAS Number | 179739-00-5 |
| Catalog Number | AG01FNSG(AGN-PC-0N78BV) |
| Chemical Name | 1-octyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-octyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C21H35BN2O3/c1-6-7-8-9-10-11-15-23-19(25)24-18-14-12-13-17(16-18)22-26-20(2,3)21(4,5)27-22/h12-14,16H,6-11,15H2,1-5H3,(H2,23,24,25) |
| InChI Key | SDPRJQXNBPRPBM-UHFFFAOYSA-N |
| MDL Number | MFCD32206416 |
| Molecular Formula | C21H35BN2O3 |
| Molecular Weight | 374.3252 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NCCCCCCCC |
| Synonyms | 3-octyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
AS-72489,
N-Octyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
179739-00-5,
CID10595549,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.274073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.3g/mol |
| Monoisotopic Mass | 374.274073g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 59.6Ų |
| 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