| CAS Number | 2246667-45-6 |
| Catalog Number | AG01FQ12(AGN-PC-3H5P7K) |
| Chemical Name | 2-fluoro-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | 2-fluoro-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide |
| InChI | InChI=1S/C19H21BFNO3/c1-18(2)19(3,4)25-20(24-18)13-8-7-9-14(12-13)22-17(23)15-10-5-6-11-16(15)21/h5-12H,1-4H3,(H,22,23) |
| InChI Key | HXWYSTQAQUYMJH-UHFFFAOYSA-N |
| MDL Number | MFCD32206449 |
| Molecular Formula | C19H21BFNO3 |
| Molecular Weight | 341.1843 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C3=CC=CC=C3F |
| Synonyms | AS-73234,
2-fluoro-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
2246667-45-6,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.159852g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.2g/mol |
| Monoisotopic Mass | 341.159852g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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