| CAS Number | 874299-26-0 |
| Catalog Number | AG00IEL0(AGN-PC-0WQWVL) |
| Chemical Name | 3-(2-methoxyethyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2-methoxyethyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C16H25BN2O4/c1-15(2)16(3,4)23-17(22-15)12-7-6-8-13(11-12)19-14(20)18-9-10-21-5/h6-8,11H,9-10H2,1-5H3,(H2,18,19,20) |
| InChI Key | HJCRQUOXLLSLOC-UHFFFAOYSA-N |
| MDL Number | MFCD22494544 |
| Molecular Formula | C16H25BN2O4 |
| Molecular Weight | 320.1917 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NCCOC |
| Synonyms | 1-(2-Methoxyethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
874299-26-0,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.196g/mol |
| Monoisotopic Mass | 320.191g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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