| CAS Number | 2246657-45-2 |
| Catalog Number | AG01FFXP(AGN-PC-3H4AII) |
| Chemical Name | Cyclohexanecarboxamide, N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexanecarboxamide |
| InChI | InChI=1S/C19H27BFNO3/c1-18(2)19(3,4)25-20(24-18)15-11-10-14(12-16(15)21)22-17(23)13-8-6-5-7-9-13/h10-13H,5-9H2,1-4H3,(H,22,23) |
| InChI Key | DFJXRGKSAMWMPC-UHFFFAOYSA-N |
| MDL Number | MFCD31916457 |
| Molecular Formula | C19H27BFNO3 |
| Molecular Weight | 347.2320 |
| SMILES | FC=1C=C(C=CC1B1OC(C(O1)(C)C)(C)C)NC(=O)C1CCCCC1 |
| Synonyms | 2246657-45-2,
AS-55489,
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexanecarboxamide,
Cyclohexanecarboxamide, N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
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| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.207g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.237g/mol |
| Monoisotopic Mass | 347.207g/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
Lot Number