| CAS Number | 874301-81-2 |
| Catalog Number | AG01FPLS(AGN-PC-3H5P0O) |
| Chemical Name | 1-(2-chloroethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-(2-chloroethyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C15H22BClN2O3/c1-14(2)15(3,4)22-16(21-14)11-6-5-7-12(10-11)19-13(20)18-9-8-17/h5-7,10H,8-9H2,1-4H3,(H2,18,19,20) |
| InChI Key | ATPORBAHGUBNSR-UHFFFAOYSA-N |
| MDL Number | MFCD22494463 |
| Molecular Formula | C15H22BClN2O3 |
| Molecular Weight | 324.6108 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NCCCl |
| Synonyms | AS-73623,
3-(2-chloroethyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
874301-81-2,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.1412g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.6g/mol |
| Monoisotopic Mass | 324.1412g/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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