| CAS Number | 2096339-77-2 |
| Catalog Number | AG01EHIR |
| Chemical Name | 2-Fluoro-6-methoxy-3-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [2-fluoro-6-methoxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C8H7BF4O3/c1-16-5-3-2-4(8(11,12)13)7(10)6(5)9(14)15/h2-3,14-15H,1H3 |
| InChI Key | DJGFZFNQPKCUHG-UHFFFAOYSA-N |
| MDL Number | MFCD19981511 |
| Molecular Formula | C8H7BF4O3 |
| Molecular Weight | 237.9440 |
| SMILES | COc1ccc(c(c1B(O)O)F)C(F)(F)F |
| Synonyms | 2-Fluoro-6-methoxy-3-(trifluoromethyl)phenylboronic acid,
2096339-77-2,
(2-Fluoro-6-methoxy-3-(trifluoromethyl)phenyl)boronic acid,
MFCD19981511,
ZINC169955180,
Y2353,
B-9246,
C8H7BF4O3,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.945g/mol |
| Monoisotopic Mass | 238.042g/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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