| CAS Number | 2096998-34-2 |
| Catalog Number | AG01EHIB |
| Chemical Name | 1-(2,6-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(2,6-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)12-7-5-8-13(11-12)23-17(25)24-16-14(21)9-6-10-15(16)22/h5-11H,1-4H3,(H2,23,24,25) |
| InChI Key | YSTRGFUROLPOTI-UHFFFAOYSA-N |
| MDL Number | MFCD20231478 |
| Molecular Formula | C19H21BCl2N2O3 |
| Molecular Weight | 407.0986 |
| SMILES | O=C(Nc1c(Cl)cccc1Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1-(2,6-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2096998-34-2,
1-(2,6-Dichlorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
MFCD20231478,
AKOS027341645,
ZINC169955937,
V9999,
B-9626,
C19H21BCl2N2O3,
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| Complexity | 523 |
| 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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