| CAS Number | 2246666-70-4 |
| Catalog Number | AG00SOAB(AGN-PC-3H4G40) |
| Chemical Name | 3-cyclopropyl-1-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-cyclopropyl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C16H22BFN2O3/c1-15(2)16(3,4)23-17(22-15)10-5-8-13(12(18)9-10)20-14(21)19-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H2,19,20,21) |
| InChI Key | KRXLQEGHJKZYGW-UHFFFAOYSA-N |
| MDL Number | MFCD32206452 |
| Molecular Formula | C16H22BFN2O3 |
| Molecular Weight | 320.1669 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F)NC3CC3 |
| Synonyms | AS-73330,
3-cyclopropyl-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2246666-70-4,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.170751g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.2g/mol |
| Monoisotopic Mass | 320.170751g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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