| CAS Number | 1179762-71-0 |
| Catalog Number | AG00HECF |
| Chemical Name | 4-Fluoro-2-(4-trifluoromethylphenyl)benzoic acid |
| IUPAC Name | 4-fluoro-2-[4-(trifluoromethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8F4O2/c15-10-5-6-11(13(19)20)12(7-10)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | GOYIDBRMAARWQF-UHFFFAOYSA-N |
| MDL Number | MFCD18321785 |
| Molecular Formula | C14H8F4O2 |
| Molecular Weight | 284.2057 |
| SMILES | Fc1ccc(c(c1)c1ccc(cc1)C(F)(F)F)C(=O)O |
| Synonyms | 1179762-71-0,
5-Fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid,
4-FLUORO-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID,
DTXSID40681150,
MFCD18321785,
5-Fluoro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid,
5-Fluoro-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 348 |
| 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 |
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Certificate of Analysis
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