| CAS Number | 925908-50-5 |
| Catalog Number | AG019S35 |
| Chemical Name | 4-(3,4,5-Trifluorophenyl)benzoic acid |
| IUPAC Name | 4-(3,4,5-trifluorophenyl)benzoic acid |
| InChI | InChI=1S/C13H7F3O2/c14-10-5-9(6-11(15)12(10)16)7-1-3-8(4-2-7)13(17)18/h1-6H,(H,17,18) |
| InChI Key | HDDVJCZDLNIIPK-UHFFFAOYSA-N |
| MDL Number | MFCD13294262 |
| Molecular Formula | C13H7F3O2 |
| Molecular Weight | 252.1887 |
| SMILES | OC(C1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1)=O |
| Synonyms | 4-(3,4,5-trifluorophenyl)benzoic acid,
925908-50-5,
3',4',5'-trifluoro-[1,1'-biphenyl]-4-carboxylic acid,
SCHEMBL5152522,
HDDVJCZDLNIIPK-UHFFFAOYSA-N,
ZINC40770671,
AKOS010491744,
MCULE-4010583500,
NE28715,
EN300-91628,
Z1262691659,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.192g/mol |
| Monoisotopic Mass | 252.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number