| CAS Number | 1417036-32-8 |
| Catalog Number | AG00HW63(AGN-PC-0WQZYT) |
| Chemical Name | 1-[2-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one |
| IUPAC Name | 1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone |
| InChI | InChI=1S/C14H18BClO3/c1-9(17)11-7-6-10(8-12(11)16)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3 |
| InChI Key | OJZIJXVVLUQHKL-UHFFFAOYSA-N |
| MDL Number | MFCD18732913 |
| Molecular Formula | C14H18BClO3 |
| Molecular Weight | 280.5549 |
| SMILES | CC(C1=C(C=C(B2OC(C)(C(C)(O2)C)C)C=C1)Cl)=O |
| Synonyms | 1-[2-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one,
1417036-32-8,
ZINC170006097,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.555g/mol |
| Monoisotopic Mass | 280.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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