| CAS Number | 1704122-23-5 |
| Catalog Number | AG00ARSA(AGN-PC-0WCTRA) |
| Chemical Name | N-cyclohexyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide |
| IUPAC Name | N-cyclohexyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenoxy]acetamide |
| InChI | InChI=1S/C21H31NO4/c1-20(2)21(3,4)26-19(25-20)15-10-12-17(13-11-15)24-14-18(23)22-16-8-6-5-7-9-16/h10-13,16,19H,5-9,14H2,1-4H3,(H,22,23) |
| InChI Key | VMMWCGMNYLZZBU-UHFFFAOYSA-N |
| MDL Number | MFCD28952848 |
| Molecular Formula | C20H30BNO4 |
| Molecular Weight | 359.2675 |
| SMILES | C1(CCCCC1)NC(COC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O |
| Synonyms | N-cyclohexyl-2-(4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenoxy)acetamide,
1704122-23-5,
MFCD28952848,
ZINC514269790,
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| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.482g/mol |
| Monoisotopic Mass | 361.225g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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