| CAS Number | 958457-42-6 |
| Catalog Number | AG01C5OR |
| Chemical Name | {4-[3-(trifluoromethyl)phenoxy]phenyl}boronic acid |
| IUPAC Name | [4-[3-(trifluoromethyl)phenoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H10BF3O3/c15-13(16,17)9-2-1-3-12(8-9)20-11-6-4-10(5-7-11)14(18)19/h1-8,18-19H |
| InChI Key | CPGMKXOOKRKAFT-UHFFFAOYSA-N |
| MDL Number | MFCD14581941 |
| Molecular Formula | C13H10BF3O3 |
| Molecular Weight | 282.0229 |
| SMILES | FC(C1=CC(OC2=CC=C(B(O)O)C=C2)=CC=C1)(F)F |
| Synonyms | {4-[3-(trifluoromethyl)phenoxy]phenyl}boronic acid,
958457-42-6,
(4-(3-(trifluoromethyl)phenoxy)phenyl)boronic acid,
SCHEMBL3560105,
CPGMKXOOKRKAFT-UHFFFAOYSA-N,
ZINC200227937,
|
| Complexity | 304 |
| 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