| CAS Number | 2096994-84-0 |
| Catalog Number | AG01EHAW(AGN-PC-3H45G9) |
| Chemical Name | 1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2,4-dimethylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C21H27BN2O3/c1-14-10-11-18(15(2)12-14)24-19(25)23-17-9-7-8-16(13-17)22-26-20(3,4)21(5,6)27-22/h7-13H,1-6H3,(H2,23,24,25) |
| InChI Key | VEXNVWBODUDMBR-UHFFFAOYSA-N |
| MDL Number | MFCD20231475 |
| Molecular Formula | C21H27BN2O3 |
| Molecular Weight | 366.2617 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NC3=CC=C(C)C=C3C |
| Synonyms | 1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2096994-84-0,
1-(2,4-Dimethylphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
C21H27BN2O3,
MFCD20231475,
AKOS027365577,
ZINC169955930,
V9997,
B-9625,
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| Complexity | 524 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.268g/mol |
| Monoisotopic Mass | 366.211g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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