| CAS Number | 1400222-60-7 |
| Catalog Number | AG009BSE(AGN-PC-0WA3M1) |
| Chemical Name | 1-(3,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(3,4-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)12-6-5-7-13(10-12)23-17(25)24-14-8-9-15(21)16(22)11-14/h5-11H,1-4H3,(H2,23,24,25) |
| InChI Key | XEOMSPNMAAIYIY-UHFFFAOYSA-N |
| MDL Number | MFCD20231481 |
| Molecular Formula | C19H21BCl2N2O3 |
| Molecular Weight | 407.0986 |
| SMILES | O=C(Nc1ccc(c(c1)Cl)Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1-(3,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1400222-60-7,
MFCD20231481,
AKOS025293787,
ZINC169955948,
OR361115,
V2987,
B-9672,
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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number