| CAS Number | 942609-64-5 |
| Catalog Number | AG01FNNP(AGN-PC-3H5NJ0) |
| Chemical Name | Urea, N-(3,4-dimethylphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 1-(3,4-dimethylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C21H27BN2O3/c1-14-7-10-18(13-15(14)2)24-19(25)23-17-11-8-16(9-12-17)22-26-20(3,4)21(5,6)27-22/h7-13H,1-6H3,(H2,23,24,25) |
| InChI Key | IZOSKIUVSCKIPY-UHFFFAOYSA-N |
| MDL Number | MFCD22494527 |
| Molecular Formula | C21H27BN2O3 |
| Molecular Weight | 366.2617 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NC3=CC=C(C)C(C)=C3 |
| Synonyms | AS-74249,
3-(3,4-dimethylphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
942609-64-5,
|
| Complexity | 516 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.211473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.3g/mol |
| Monoisotopic Mass | 366.211473g/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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