| CAS Number | 1208080-71-0 |
| Catalog Number | AG00HFS1(AGN-PC-0WBSV1) |
| Chemical Name | 4-(1,1,2,2,2-Pentafluoroethyl)-3-(trifluoromethyl)benzoic acid |
| IUPAC Name | 4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C10H4F8O2/c11-8(12,10(16,17)18)5-2-1-4(7(19)20)3-6(5)9(13,14)15/h1-3H,(H,19,20) |
| InChI Key | UIFPBYKGKIDHJJ-UHFFFAOYSA-N |
| MDL Number | MFCD23381983 |
| Molecular Formula | C10H4F8O2 |
| Molecular Weight | 308.1248 |
| SMILES | OC(=O)C1=CC=C(C(=C1)C(F)(F)F)C(F)(F)C(F)(F)F |
| Synonyms | 4-(Pentafluoroethyl)-3-(trifluoromethyl)benzoic acid,
1208080-71-0,
MFCD23381983,
ZINC97949881,
AKOS017344922,
PC52127,
4-(1,1,2,2,2-Pentafluoroethyl)-3-(trifluoromethyl)benzoic acid,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.127g/mol |
| Monoisotopic Mass | 308.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number