| CAS Number | 1092563-24-0 |
| Catalog Number | AG00HBEE(AGN-PC-0WRA4U) |
| Chemical Name | 4-{[2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine |
| IUPAC Name | [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone |
| InChI | InChI=1S/C17H23BFNO4/c1-16(2)17(3,4)24-18(23-16)12-5-6-13(14(19)11-12)15(21)20-7-9-22-10-8-20/h5-6,11H,7-10H2,1-4H3 |
| InChI Key | CHLPAMXFGIHSBE-UHFFFAOYSA-N |
| MDL Number | MFCD27936080 |
| Molecular Formula | C17H23BFNO4 |
| Molecular Weight | 335.1782 |
| SMILES | O=C(N1CCOCC1)C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2F |
| Synonyms | 1092563-24-0,
4-{[2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbonyl}morpholine,
(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(morpholino)methanone,
SCHEMBL2797825,
ZINC170004320,
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| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.182g/mol |
| Monoisotopic Mass | 335.17g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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