| CAS Number | 874298-11-0 |
| Catalog Number | AG01DTQM |
| Chemical Name | 3,3-bis(propan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1,1-di(propan-2-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C19H31BN2O3/c1-13(2)22(14(3)4)17(23)21-16-11-9-15(10-12-16)20-24-18(5,6)19(7,8)25-20/h9-14H,1-8H3,(H,21,23) |
| InChI Key | PZWCVRDJNOELRF-UHFFFAOYSA-N |
| MDL Number | MFCD31916426 |
| Molecular Formula | C19H31BN2O3 |
| Molecular Weight | 346.2720 |
| SMILES | C(C)(C)N(C(=O)NC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)C(C)C |
| Synonyms | 874298-11-0,
AS-55423,
1,1-Diisopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
3,3-bis(propan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
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| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.278g/mol |
| Monoisotopic Mass | 346.243g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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