| CAS Number | 2096996-90-4 |
| Catalog Number | AG01EHN9 |
| Chemical Name | 1-(5-Chloro-2-methoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(5-chloro-2-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H24BClN2O4/c1-19(2)20(3,4)28-21(27-19)13-7-6-8-15(11-13)23-18(25)24-16-12-14(22)9-10-17(16)26-5/h6-12H,1-5H3,(H2,23,24,25) |
| InChI Key | BUTHGPLEFQCRJL-UHFFFAOYSA-N |
| MDL Number | MFCD20231473 |
| Molecular Formula | C20H24BClN2O4 |
| Molecular Weight | 402.6796 |
| SMILES | COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)Cl |
| Synonyms | 1-(5-Chloro-2-methoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2096996-90-4,
1-(5-Chloro-2-methoxyphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
C20H24BClN2O4,
MFCD20231473,
ZINC169955925,
W2848,
B-9670,
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| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.682g/mol |
| Monoisotopic Mass | 402.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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