| CAS Number | 1260795-43-4 |
| Catalog Number | AG01B1RR |
| Chemical Name | 2-Methyl-2-[4-(trifluoromethoxy)phenyl]propanoic acid |
| IUPAC Name | 2-methyl-2-[4-(trifluoromethoxy)phenyl]propanoic acid |
| InChI | InChI=1S/C11H11F3O3/c1-10(2,9(15)16)7-3-5-8(6-4-7)17-11(12,13)14/h3-6H,1-2H3,(H,15,16) |
| InChI Key | FOPARMLTSFOAEO-UHFFFAOYSA-N |
| MDL Number | MFCD11036950 |
| Molecular Formula | C11H11F3O3 |
| Molecular Weight | 248.1984 |
| SMILES | CC(C1=CC=C(OC(F)(F)F)C=C1)(C(O)=O)C |
| Synonyms | 2-methyl-2-[4-(trifluoromethoxy)phenyl]propanoic acid,
1260795-43-4,
SCHEMBL17261138,
MFCD11036950,
ZINC96300520,
AKOS026340223,
MCULE-8138770914,
NE35680,
Z1827897935,
2-methyl-2-(4-(trifluoromethoxy)phenyl)propanoic acid,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.201g/mol |
| Monoisotopic Mass | 248.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number