| CAS Number | 1605331-76-7 |
| Catalog Number | AG01EHFF(AGN-PC-0WCTFJ) |
| Chemical Name | 2-Methoxy-6-(trifluoromethyl)pyridine-4-boronic acid |
| IUPAC Name | [2-methoxy-6-(trifluoromethyl)pyridin-4-yl]boronic acid |
| InChI | InChI=1S/C7H7BF3NO3/c1-15-6-3-4(8(13)14)2-5(12-6)7(9,10)11/h2-3,13-14H,1H3 |
| InChI Key | ZGPJQGHMUXHGFB-UHFFFAOYSA-N |
| MDL Number | MFCD16611565 |
| Molecular Formula | C7H7BF3NO3 |
| Molecular Weight | 220.9416 |
| SMILES | COc1cc(cc(n1)C(F)(F)F)B(O)O |
| Synonyms | 2-METHOXY-6-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID,
1605331-76-7,
(2-Methoxy-6-(trifluoromethyl)pyridin-4-yl)boronic acid,
SCHEMBL2724555,
ZGPJQGHMUXHGFB-UHFFFAOYSA-N,
ZINC203794949,
AB71392,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.942g/mol |
| Monoisotopic Mass | 221.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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