| CAS Number | 1809876-48-9 |
| Catalog Number | AG00I0AP |
| Chemical Name | 1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2,4-dichlorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C19H21BCl2N2O3/c1-18(2)19(3,4)27-20(26-18)12-6-5-7-14(10-12)23-17(25)24-16-9-8-13(21)11-15(16)22/h5-11H,1-4H3,(H2,23,24,25) |
| InChI Key | WGJMPHKAXMLGHG-UHFFFAOYSA-N |
| MDL Number | MFCD20231483 |
| Molecular Formula | C19H21BCl2N2O3 |
| Molecular Weight | 407.0986 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NC3=CC=C(Cl)C=C3Cl |
| Synonyms | 1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1809876-48-9,
1-(2,4-Dichlorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
MFCD20231483,
ZINC169955954,
V9996,
B-9627,
C19H21BCl2N2O3,
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| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.098g/mol |
| Monoisotopic Mass | 406.102g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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