| CAS Number | 1847480-32-3 |
| Catalog Number | AG01FFXL(AGN-PC-3H4AHF) |
| Chemical Name | Acetonitrile, 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]- |
| IUPAC Name | 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile |
| InChI | InChI=1S/C14H17BFNO3/c1-13(2)14(3,4)20-15(19-13)10-5-6-12(11(16)9-10)18-8-7-17/h5-6,9H,8H2,1-4H3 |
| InChI Key | HNSUXOURUUGQEX-UHFFFAOYSA-N |
| MDL Number | MFCD31916454 |
| Molecular Formula | C14H17BFNO3 |
| Molecular Weight | 277.0991 |
| SMILES | N#CCOC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F |
| Synonyms | 1847480-32-3,
AS-55485,
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile,
Acetonitrile, 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.102g/mol |
| Monoisotopic Mass | 277.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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