| CAS Number | 1261786-21-3 |
| Catalog Number | AG009X0U |
| Chemical Name | 6-Chloro-2-(2-trifluoromethylphenyl)benzoic acid |
| IUPAC Name | 2-chloro-6-[2-(trifluoromethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8ClF3O2/c15-11-7-3-5-9(12(11)13(19)20)8-4-1-2-6-10(8)14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | VEJUIMJALZMFCC-UHFFFAOYSA-N |
| MDL Number | MFCD18321746 |
| Molecular Formula | C14H8ClF3O2 |
| Molecular Weight | 300.6603 |
| SMILES | OC(=O)c1c(Cl)cccc1c1ccccc1C(F)(F)F |
| Synonyms | 6-CHLORO-2-(2-TRIFLUOROMETHYLPHENYL)BENZOIC ACID,
1261786-21-3,
DTXSID40691133,
MFCD18321746,
ZINC65354212,
Z9075,
3-Chloro-2'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid,
C14H8ClF3O2,
2-chloro-6-[2-(trifluoromethyl)phenyl]benzoic acid,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.661g/mol |
| Monoisotopic Mass | 300.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number