| CAS Number | 2096341-62-5 |
| Catalog Number | AG01EHAQ(AGN-PC-3H45G3) |
| Chemical Name | 3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [3-ethoxy-4-fluoro-5-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H9BF4O3/c1-2-17-7-4-5(10(15)16)3-6(8(7)11)9(12,13)14/h3-4,15-16H,2H2,1H3 |
| InChI Key | IMPXHVASTNGBSE-UHFFFAOYSA-N |
| MDL Number | MFCD20529447 |
| Molecular Formula | C9H9BF4O3 |
| Molecular Weight | 251.9706 |
| SMILES | OB(C1=CC(C(F)(F)F)=C(F)C(OCC)=C1)O |
| Synonyms | 3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenylboronic acid,
2096341-62-5,
(3-Ethoxy-4-fluoro-5-(trifluoromethyl)phenyl)boronic acid,
MFCD20529447,
ZINC169955443,
Y2573,
B-9641,
C9H9BF4O3,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.972g/mol |
| Monoisotopic Mass | 252.058g/mol |
| Rotatable Bond Count | 3 |
| 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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