| CAS Number | 874301-96-9 |
| Catalog Number | AG01FNO0(AGN-PC-3H4BGI) |
| Chemical Name | 1-(2-chlorobenzyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-[(2-chlorophenyl)methyl]-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H24BClN2O3/c1-19(2)20(3,4)27-21(26-19)15-9-7-10-16(12-15)24-18(25)23-13-14-8-5-6-11-17(14)22/h5-12H,13H2,1-4H3,(H2,23,24,25) |
| InChI Key | NFPQXSFNHCRNJU-UHFFFAOYSA-N |
| MDL Number | MFCD22494727 |
| Molecular Formula | C20H24BClN2O3 |
| Molecular Weight | 386.6802 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC(NC(NCC3=C(Cl)C=CC=C3)=O)=CC=C2 |
| Synonyms | AS-73714,
1-[(2-chlorophenyl)methyl]-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
874301-96-9,
|
| Complexity | 515 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.156851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.7g/mol |
| Monoisotopic Mass | 386.156851g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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