| CAS Number | 935660-79-0 |
| Catalog Number | AG01EHXC(AGN-PC-00T16L) |
| Chemical Name | N-(2-Methylphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2-methylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H25BN2O3/c1-14-8-6-7-9-17(14)23-18(24)22-16-12-10-15(11-13-16)21-25-19(2,3)20(4,5)26-21/h6-13H,1-5H3,(H2,22,23,24) |
| InChI Key | CDGWNTATCIGISB-UHFFFAOYSA-N |
| MDL Number | MFCD28396991 |
| Molecular Formula | C20H25BN2O3 |
| Molecular Weight | 352.2351 |
| SMILES | O=C(NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)NC1=CC=CC=C1C |
| Synonyms | 935660-79-0,
AS-55455,
(4-(3-(2-Methyphenyl)ureido)phenyl)boronic acid pinacol ester,
3-(2-methylphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
N-(2-Methylphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
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| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.241g/mol |
| Monoisotopic Mass | 352.196g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number