| CAS Number | 1415824-94-0 |
| Catalog Number | AG01C5BX |
| Chemical Name | (4-(4-(Trifluoromethyl)phenoxy)phenyl)boronic acid |
| IUPAC Name | [4-[4-(trifluoromethyl)phenoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H10BF3O3/c15-13(16,17)9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)14(18)19/h1-8,18-19H |
| InChI Key | KZXCMVJHGMMESW-UHFFFAOYSA-N |
| MDL Number | MFCD14581943 |
| Molecular Formula | C13H10BF3O3 |
| Molecular Weight | 282.0229 |
| SMILES | FC(C1=CC=C(OC2=CC=C(B(O)O)C=C2)C=C1)(F)F |
| Synonyms | {4-[4-(trifluoromethyl)phenoxy]phenyl}boronic acid,
1415824-94-0,
(4-(4-(trifluoromethyl)phenoxy)phenyl)boronic acid,
SCHEMBL14165310,
KZXCMVJHGMMESW-UHFFFAOYSA-N,
ZINC206624631,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.025g/mol |
| Monoisotopic Mass | 282.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number