| CAS Number | 1809876-45-6 |
| Catalog Number | AG01FRKX(AGN-PC-3H5PNG) |
| Chemical Name | 1-(3-methoxyphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-(3-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H25BN2O4/c1-19(2)20(3,4)27-21(26-19)14-8-6-9-15(12-14)22-18(24)23-16-10-7-11-17(13-16)25-5/h6-13H,1-5H3,(H2,22,23,24) |
| InChI Key | WBPGLPFQYZJSFE-UHFFFAOYSA-N |
| MDL Number | MFCD32206496 |
| Molecular Formula | C20H25BN2O4 |
| Molecular Weight | 368.2345 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NC3=CC=CC(OC)=C3 |
| Synonyms | AS-73797,
3-(3-methoxyphenyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1809876-45-6,
|
| Complexity | 512 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.190738g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.2g/mol |
| Monoisotopic Mass | 368.190738g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8Ų |
| 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