| CAS Number | 1261747-62-9 |
| Catalog Number | AG01BJ0G |
| Chemical Name | 4-Methyl-2-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 4-methyl-2-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C9H7F3O3/c1-5-2-3-6(8(13)14)7(4-5)15-9(10,11)12/h2-4H,1H3,(H,13,14) |
| InChI Key | BPDKBPYHHXWZRM-UHFFFAOYSA-N |
| MDL Number | MFCD18399746 |
| Molecular Formula | C9H7F3O3 |
| Molecular Weight | 220.1453 |
| SMILES | CC1=CC(=C(C(=O)O)C=C1)OC(F)(F)F |
| Synonyms | 4-Methyl-2-(trifluoromethoxy)benzoic acid,
1261747-62-9,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.147g/mol |
| Monoisotopic Mass | 220.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number