| CAS Number | 1079402-45-1 |
| Catalog Number | AG00HB20(AGN-PC-0WRA7D) |
| Chemical Name | 5-Methyl-2-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [5-methyl-2-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C8H8BF3O3/c1-5-2-3-7(15-8(10,11)12)6(4-5)9(13)14/h2-4,13-14H,1H3 |
| InChI Key | WEJLNXRODGEOBW-UHFFFAOYSA-N |
| MDL Number | MFCD18399838 |
| Molecular Formula | C8H8BF3O3 |
| Molecular Weight | 219.9535 |
| SMILES | Cc1ccc(c(c1)B(O)O)OC(F)(F)F |
| Synonyms | 5-Methyl-2-(trifluoromethoxy)phenylboronic acid,
1079402-45-1,
[5-methyl-2-(trifluoromethoxy)phenyl]boronic acid,
SCHEMBL14237419,
AKOS025293836,
ZINC170002777,
PC412526,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.954g/mol |
| Monoisotopic Mass | 220.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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