| CAS Number | 1845695-98-8 |
| Catalog Number | AG01FHDB(AGN-PC-3H4AO5) |
| Chemical Name | 4-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]benzoic acid |
| IUPAC Name | 4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]benzoic acid |
| InChI | InChI=1S/C10H6F6O4/c11-8(20-10(14,15)16)9(12,13)19-6-3-1-5(2-4-6)7(17)18/h1-4,8H,(H,17,18) |
| InChI Key | ZAHWGTRXNJVLNR-UHFFFAOYSA-N |
| MDL Number | MFCD28103420 |
| Molecular Formula | C10H6F6O4 |
| Molecular Weight | 304.1427 |
| SMILES | FC(C(Oc1ccc(cc1)C(=O)O)(F)F)OC(F)(F)F |
| Synonyms | 4-[1,1,2-TRIFLUORO-2-(TRIFLUOROMETHOXY)ETHOXY]BENZOIC ACID,
1845695-98-8,
MFCD28103420,
PC500652,
PS-11032,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.144g/mol |
| Monoisotopic Mass | 304.017g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number