| CAS Number | 1375068-91-9 |
| Catalog Number | AG009WSA(AGN-PC-0WA3EC) |
| Chemical Name | {4-[4-Fluoro-3-(trifluoromethyl)phenyl]phenyl}acetic acid |
| IUPAC Name | 2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]acetic acid |
| InChI | InChI=1S/C15H10F4O2/c16-13-6-5-11(8-12(13)15(17,18)19)10-3-1-9(2-4-10)7-14(20)21/h1-6,8H,7H2,(H,20,21) |
| InChI Key | QQHJXFAZDSMKFW-UHFFFAOYSA-N |
| MDL Number | MFCD22205792 |
| Molecular Formula | C15H10F4O2 |
| Molecular Weight | 298.2323 |
| SMILES | OC(=O)Cc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F |
| Synonyms | {4-[4-Fluoro-3-(trifluoromethyl)phenyl]phenyl}acetic acid,
1375068-91-9,
ACMC-209cd7,
CTK8B0651,
DTXSID50742983,
ANW-20297,
MFCD22205792,
ZINC85477221,
TC-109042,
V2744,
B-8651,
[4'-Fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]acetic acid,
C15H10F4O2,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.237g/mol |
| Monoisotopic Mass | 298.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number