| CAS Number | 1793003-82-3 |
| Catalog Number | AG00HZY2 |
| Chemical Name | 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid |
| IUPAC Name | [3-ethoxy-2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C9H9BF4O4/c1-2-17-7-4-5(18-9(12,13)14)3-6(8(7)11)10(15)16/h3-4,15-16H,2H2,1H3 |
| InChI Key | MXNMKFPYPKBZGI-UHFFFAOYSA-N |
| MDL Number | MFCD21609533 |
| Molecular Formula | C9H9BF4O4 |
| Molecular Weight | 267.9700 |
| SMILES | CCOc1cc(cc(c1F)B(O)O)OC(F)(F)F |
| Synonyms | 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid,
1793003-82-3,
C9H9BF4O4,
MFCD21609533,
ZINC169964767,
Y2570,
B-9542,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.971g/mol |
| Monoisotopic Mass | 268.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number