| CAS Number | 946007-74-5 |
| Catalog Number | AG01EHBX |
| Chemical Name | 3-(benzyloxy)-4-(trifluoromethyl)benzoic acid |
| IUPAC Name | 3-phenylmethoxy-4-(trifluoromethyl)benzoic acid |
| InChI | InChI=1S/C15H11F3O3/c16-15(17,18)12-7-6-11(14(19)20)8-13(12)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20) |
| InChI Key | ZCSLOOFJVWUBNH-UHFFFAOYSA-N |
| MDL Number | MFCD13192092 |
| Molecular Formula | C15H11F3O3 |
| Molecular Weight | 296.2412 |
| SMILES | OC(=O)c1ccc(c(c1)OCc1ccccc1)C(F)(F)F |
| Synonyms | 3-(Benzyloxy)-4-(trifluoromethyl)benzoic acid,
946007-74-5,
SCHEMBL849231,
ZCSLOOFJVWUBNH-UHFFFAOYSA-N,
3-benzyloxy-4-trifluoromethyl-benzoic acid,
3-(phenylmethoxy)-4-(trifluoromethyl)-benzoic acid,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.245g/mol |
| Monoisotopic Mass | 296.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number