| CAS Number | 587-18-8 |
| Catalog Number | AG00EKYD(AGN-PC-0WD5Y8) |
| Chemical Name | Ethyl 4-(trifluoromethoxy)benzoate |
| IUPAC Name | ethyl 4-(trifluoromethoxy)benzoate |
| InChI | InChI=1S/C10H9F3O3/c1-2-15-9(14)7-3-5-8(6-4-7)16-10(11,12)13/h3-6H,2H2,1H3 |
| InChI Key | HSCMRGOOJDROHT-UHFFFAOYSA-N |
| MDL Number | MFCD06204385 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | C(F)(F)(F)OC1=CC=C(C=C1)C(OCC)=O |
| Synonyms | Ethyl 4-(trifluoromethoxy)benzoate,
587-18-8,
Ethyl-4-(trifluoromethoxy) benzoate,
Ethyl-4-(trifluoromethoxy)benzoate,
SCHEMBL2721728,
MFCD06204385,
ZINC14443491,
AKOS017088329,
RP28108,
AJ-64857,
4-trifluoromethoxy-benzoic acid ethyl ester,
DB-024680,
4-(Trifluoromethoxy)benzoic acid ethyl ester,
FT-0755526,
J-521318,
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| Complexity | 232 |
| 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 | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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