| CAS Number | 874299-12-4 |
| Catalog Number | AG00IEKT(AGN-PC-0WQWVC) |
| Chemical Name | 1-cyclohexyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-cyclohexyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C19H29BN2O3/c1-18(2)19(3,4)25-20(24-18)14-9-8-12-16(13-14)22-17(23)21-15-10-6-5-7-11-15/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H2,21,22,23) |
| InChI Key | CGJCWUWDGMPETC-UHFFFAOYSA-N |
| MDL Number | MFCD22494461 |
| Molecular Formula | C19H29BN2O3 |
| Molecular Weight | 344.2562 |
| SMILES | CC(O1)(C)C(C)(C)OB1C2=CC(NC(NC3CCCCC3)=O)=CC=C2 |
| Synonyms | 874299-12-4,
1-Cyclohexyl-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
1-cyclohexyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
AS-55368,
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| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.227g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.262g/mol |
| Monoisotopic Mass | 344.227g/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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