| CAS Number | 220943-57-7 |
| Catalog Number | AG00I4BZ(AGN-PC-0WRA6Z) |
| Chemical Name | 3,5-difluoro-4-(trifluoroMethoxy)phenylboronic acid |
| IUPAC Name | [3,5-difluoro-4-(trifluoromethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C7H4BF5O3/c9-4-1-3(8(14)15)2-5(10)6(4)16-7(11,12)13/h1-2,14-15H |
| InChI Key | FHNKCNRVDBWLJQ-UHFFFAOYSA-N |
| MDL Number | MFCD19441184 |
| Molecular Formula | C7H4BF5O3 |
| Molecular Weight | 241.9079 |
| SMILES | OB(c1cc(F)c(c(c1)F)OC(F)(F)F)O |
| Synonyms | 3,5-difluoro-4-(trifluoroMethoxy)phenylboronic acid,
220943-57-7,
(3,5-Difluoro-4-(trifluoromethoxy)phenyl)boronic acid,
C7H4BF5O3,
SCHEMBL6741499,
FHNKCNRVDBWLJQ-UHFFFAOYSA-N,
AKOS027307807,
ZINC169993951,
ACM220943577,
X5618,
dihydroxy (3,5-difluoro-4-trifluoromethoxyphenyl) borane,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.908g/mol |
| Monoisotopic Mass | 242.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number