| CAS Number | 2096330-80-0 |
| Catalog Number | AG01EHLF |
| Chemical Name | 2-Fluoro-3-methoxy-5-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [2-fluoro-3-methoxy-5-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C8H7BF4O4/c1-16-6-3-4(17-8(11,12)13)2-5(7(6)10)9(14)15/h2-3,14-15H,1H3 |
| InChI Key | QTABOWWUARPZFF-UHFFFAOYSA-N |
| MDL Number | MFCD19348121 |
| Molecular Formula | C8H7BF4O4 |
| Molecular Weight | 253.9434 |
| SMILES | COc1cc(cc(c1F)B(O)O)OC(F)(F)F |
| Synonyms | 2-Fluoro-3-methoxy-5-(trifluoromethoxy)phenylboronic acid,
2096330-80-0,
(2-Fluoro-3-methoxy-5-(trifluoromethoxy)phenyl)boronic acid,
C8H7BF4O4,
MFCD22192440,
AKOS027377666,
ZINC169977983,
Y2330,
B-9650,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.944g/mol |
| Monoisotopic Mass | 254.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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