| CAS Number | 433330-72-4 |
| Catalog Number | AG01C2PE |
| Chemical Name | 2-Methoxy-6-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 2-methoxy-6-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C9H7F3O4/c1-15-5-3-2-4-6(7(5)8(13)14)16-9(10,11)12/h2-4H,1H3,(H,13,14) |
| InChI Key | ONXRZSWMXWCTRH-UHFFFAOYSA-N |
| MDL Number | MFCD18398447 |
| Molecular Formula | C9H7F3O4 |
| Molecular Weight | 236.1447 |
| SMILES | COC1=C(C(O)=O)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-methoxy-6-(trifluoromethoxy)benzoic acid,
433330-72-4,
ZINC95611690,
AKOS024262842,
Z2583036190,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.146g/mol |
| Monoisotopic Mass | 236.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number