| CAS Number | 1643467-83-7 |
| Catalog Number | AG00HZ3B |
| Chemical Name | 5-Chloro-2-(trifluoromethoxy)phenylboronic acid, pinacol ester |
| IUPAC Name | 2-[5-chloro-2-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H15BClF3O3/c1-11(2)12(3,4)21-14(20-11)9-7-8(15)5-6-10(9)19-13(16,17)18/h5-7H,1-4H3 |
| InChI Key | YCQFKWSTTHUHSP-UHFFFAOYSA-N |
| MDL Number | MFCD18756732 |
| Molecular Formula | C13H15BClF3O3 |
| Molecular Weight | 322.5156 |
| SMILES | FC(Oc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Cl)(F)F |
| Synonyms | 1643467-83-7,
5-Chloro-2-(trifluoromethoxy)phenylboronic acid, pinacol ester,
2-(5-Chloro-2-(trifluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18756732,
ZINC169951752,
A-2984,
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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 | 322.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.515g/mol |
| Monoisotopic Mass | 322.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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