| CAS Number | 2246744-18-1 |
| Catalog Number | AG01FPCM(AGN-PC-3H5OMI) |
| Chemical Name | N-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide |
| IUPAC Name | N-[2-fluoro-4-(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)14-10-11-16(15(21)12-14)22-17(23)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,22,23) |
| InChI Key | JRCGXGWZQCXACF-UHFFFAOYSA-N |
| MDL Number | MFCD32206446 |
| Molecular Formula | C19H21BFNO3 |
| Molecular Weight | 341.1843 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F)C3=CC=CC=C3 |
| Synonyms | AS-73229,
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide,
2246744-18-1,
|
| Complexity | 477 |
| 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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