| CAS Number | 874301-88-9 |
| Catalog Number | AG01FNMG(AGN-PC-3H4BGL) |
| Chemical Name | 1-(4-fluorobenzyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H24BFN2O3/c1-19(2)20(3,4)27-21(26-19)15-6-5-7-17(12-15)24-18(25)23-13-14-8-10-16(22)11-9-14/h5-12H,13H2,1-4H3,(H2,23,24,25) |
| InChI Key | SKDLBGDZJJBFSX-UHFFFAOYSA-N |
| MDL Number | MFCD22494690 |
| Molecular Formula | C20H24BFN2O3 |
| Molecular Weight | 370.2256 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NCC3=CC=C(F)C=C3 |
| Synonyms | ZINC169745887,
AS-73712,
1-[(4-FLUOROPHENYL)METHYL]-3-[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA,
874301-88-9,
|
| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.186401g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.2g/mol |
| Monoisotopic Mass | 370.186401g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number