| CAS Number | 1017779-22-4 |
| Catalog Number | AG0095ES(AGN-PC-0WAOMV) |
| Chemical Name | 2-(2-Methoxy-4-(trifluoromethyl)phenyl)acetic acid |
| IUPAC Name | 2-[2-methoxy-4-(trifluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C10H9F3O3/c1-16-8-5-7(10(11,12)13)3-2-6(8)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15) |
| InChI Key | GTVKLECZJRZMQO-UHFFFAOYSA-N |
| MDL Number | MFCD09832353 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | C(F)(F)(F)C1C=CC(=C(OC)C=1)CC(O)=O |
| Synonyms | 1017779-22-4,
2-METHOXY-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID,
2-(2-Methoxy-4-(trifluoromethyl)phenyl)acetic acid,
MFCD09832353,
2-[2-methoxy-4-(trifluoromethyl)phenyl]acetic acid,
CTK6J6768,
SBB098201,
ZINC38530006,
AKOS015956714,
JS-4757,
PC302466,
FT-0713608,
2-Methoxy-4-(trifluoromethyl)phenylacetic acid, JRD,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number