| CAS Number | 926200-33-1 |
| Catalog Number | AG00IH89 |
| Chemical Name | 5-Fluoro-2-(3-trifluoromethylphenyl)benzoic acid |
| IUPAC Name | 5-fluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8F4O2/c15-10-4-5-11(12(7-10)13(19)20)8-2-1-3-9(6-8)14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | WRUQSRMFAFFBOQ-UHFFFAOYSA-N |
| MDL Number | MFCD09042206 |
| Molecular Formula | C14H8F4O2 |
| Molecular Weight | 284.2057 |
| SMILES | OC(C1=C(C2=CC(C(F)(F)F)=CC=C2)C=CC(F)=C1)=O |
| Synonyms | 5-fluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid,
926200-33-1,
CTK7B8588,
DTXSID80588058,
AC1Q7231,
MFCD09042206,
ZINC21950538,
AKOS000124645,
MCULE-5540145640,
NE24621,
EN300-43432,
4-Fluoro-3'-(trifluoromethyl)biphenyl-2-carboxylic acid,
5-FLUORO-2-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID,
Z445129428,
4-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid,
4-Fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.21g/mol |
| Monoisotopic Mass | 284.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number