| CAS Number | 874301-65-2 |
| Catalog Number | AG00IEL2(AGN-PC-0WQWVP) |
| Chemical Name | 3-(4-fluorophenyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(4-fluorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C19H22BFN2O3/c1-18(2)19(3,4)26-20(25-18)13-6-5-7-16(12-13)23-17(24)22-15-10-8-14(21)9-11-15/h5-12H,1-4H3,(H2,22,23,24) |
| InChI Key | DROHSQGQVUNSNN-UHFFFAOYSA-N |
| MDL Number | MFCD22494545 |
| Molecular Formula | C19H22BFN2O3 |
| Molecular Weight | 356.1990 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NC3=CC=C(F)C=C3 |
| Synonyms | AS-73707,
3-(4-fluorophenyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
874301-65-2,
|
| Complexity | 493 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.170751g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.2g/mol |
| Monoisotopic Mass | 356.170751g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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