| CAS Number | 736989-95-0 |
| Catalog Number | AG01DX8M |
| Chemical Name | N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| IUPAC Name | N-cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C19H27BFNO3/c1-18(2)19(3,4)25-20(24-18)13-10-11-15(16(21)12-13)17(23)22-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,22,23) |
| InChI Key | WANRXUOKTLHYOK-UHFFFAOYSA-N |
| MDL Number | MFCD22494646 |
| Molecular Formula | C19H27BFNO3 |
| Molecular Weight | 347.2320 |
| SMILES | C1(CCCCC1)NC(C1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)F)=O |
| Synonyms | N-cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
736989-95-0,
SCHEMBL6226812,
AS-55445,
|
| 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 |
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Certificate of Analysis
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