| CAS Number | 844501-78-6 |
| Catalog Number | AG00IDDL(AGN-PC-0URO9T) |
| Chemical Name | Acetamide,N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C14H19BClNO3/c1-9(18)17-10-6-7-11(12(16)8-10)15-19-13(2,3)14(4,5)20-15/h6-8H,1-5H3,(H,17,18) |
| InChI Key | UWLRINVGWAKIKC-UHFFFAOYSA-N |
| MDL Number | MFCD22494239 |
| Molecular Formula | C14H19BClNO3 |
| Molecular Weight | 295.5696 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2Cl)NC(=O)C |
| Synonyms | 844501-78-6,
Acetamide, n-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
SCHEMBL5919329,
ZINC170003249,
Acetamide,N-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.57g/mol |
| Monoisotopic Mass | 295.115g/mol |
| Rotatable Bond Count | 2 |
| 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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