| CAS Number | 2246801-72-7 |
| Catalog Number | AG00QIIQ(AGN-PC-3H459P) |
| Chemical Name | N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| IUPAC Name | N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide |
| InChI | InChI=1S/C17H23BFNO3/c1-16(2)17(3,4)23-18(22-16)13-9-8-12(10-14(13)19)20-15(21)11-6-5-7-11/h8-11H,5-7H2,1-4H3,(H,20,21) |
| InChI Key | TYJXELGDCHWHEY-UHFFFAOYSA-N |
| MDL Number | MFCD31916413 |
| Molecular Formula | C17H23BFNO3 |
| Molecular Weight | 319.1788 |
| SMILES | O=C(C1CCC1)NC2=CC=C(B3OC(C)(C)C(C)(C)O3)C(F)=C2 |
| Synonyms | 2246801-72-7,
AS-55387,
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide,
N-[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutanecarboxamide,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.183g/mol |
| Monoisotopic Mass | 319.176g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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