| CAS Number | 874301-79-8 |
| Catalog Number | AG01FPKG(AGN-PC-3H5P0L) |
| Chemical Name | 1-(3-chloropropyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-(3-chloropropyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C16H24BClN2O3/c1-15(2)16(3,4)23-17(22-15)12-7-5-8-13(11-12)20-14(21)19-10-6-9-18/h5,7-8,11H,6,9-10H2,1-4H3,(H2,19,20,21) |
| InChI Key | ZEPFCCKWHXZCAV-UHFFFAOYSA-N |
| MDL Number | MFCD22494512 |
| Molecular Formula | C16H24BClN2O3 |
| Molecular Weight | 338.6374 |
| SMILES | ClCCCNC(=O)NC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | AS-73715,
3-(3-chloropropyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
874301-79-8,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.156851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.6g/mol |
| Monoisotopic Mass | 338.156851g/mol |
| Rotatable Bond Count | 5 |
| 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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