| CAS Number | 576170-42-8 |
| Catalog Number | AG00EO6Z(AGN-PC-02C369) |
| Chemical Name | Methyl 4-methoxy-3-(trifluoromethyl)benzoate |
| IUPAC Name | methyl 4-methoxy-3-(trifluoromethyl)benzoate |
| InChI | InChI=1S/C10H9F3O3/c1-15-8-4-3-6(9(14)16-2)5-7(8)10(11,12)13/h3-5H,1-2H3 |
| InChI Key | FAOOKWQMNNMWGW-UHFFFAOYSA-N |
| MDL Number | MFCD06204093 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | C1(C=CC(OC)=C(C(F)(F)F)C=1)C(=O)OC |
| Synonyms | methyl 4-methoxy-3-(trifluoromethyl)benzoate,
576170-42-8,
SCHEMBL2470879,
FAOOKWQMNNMWGW-UHFFFAOYSA-N,
MFCD06204093,
ZINC44200005,
AKOS030625431,
methyl 3-trifluoromethyl-4-methoxybenzoate,
4-Methoxy-3-trifluoromethylbenzoic acid methyl ester,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number