| CAS Number | 1106837-36-8 |
| Catalog Number | AG009482(AGN-PC-0WA8YL) |
| Chemical Name | 3'-Trifluoromethylbiphenyl-4-boronic acid |
| IUPAC Name | [4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H10BF3O2/c15-13(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)14(18)19/h1-8,18-19H |
| InChI Key | GKGSHGQGXTXEQY-UHFFFAOYSA-N |
| MDL Number | MFCD08544398 |
| Molecular Formula | C13H10BF3O2 |
| Molecular Weight | 266.0235 |
| SMILES | OB(c1ccc(cc1)c1cccc(c1)C(F)(F)F)O |
| Synonyms | 1106837-36-8,
3'-trifluoromethylbiphenyl-4-boronic acid,
3'-TRIFLUOROMETHYL-BIPHENYL-4-BORONIC ACID,
(3'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)boronic acid,
CTK8C6432,
MFCD08544398,
AKOS004113887,
ZINC169844723,
3'-Trifluoromethyl-biphenyl-4-boronicacid,
PC412552,
Z7316,
K-0692,
C13H10BF3O2,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.026g/mol |
| Monoisotopic Mass | 266.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number