| CAS Number | 2246799-61-9 |
| Catalog Number | AG01FRI4(AGN-PC-3H5PN1) |
| Chemical Name | 1-isopropyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea |
| IUPAC Name | 1-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-propan-2-ylurea |
| InChI | InChI=1S/C17H27BN2O4/c1-11(2)19-15(21)20-13-9-8-12(10-14(13)22-7)18-23-16(3,4)17(5,6)24-18/h8-11H,1-7H3,(H2,19,20,21) |
| InChI Key | BQZOYUOPOGLQIX-UHFFFAOYSA-N |
| MDL Number | MFCD32206503 |
| Molecular Formula | C17H27BN2O4 |
| Molecular Weight | 334.2183 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1OC)NC(C)C |
| Synonyms | AS-73944,
1-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(propan-2-yl)urea,
2246799-61-9,
|
| Complexity | 440 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.206388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.2g/mol |
| Monoisotopic Mass | 334.206388g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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