| CAS Number | 1414887-27-6 |
| Catalog Number | AG01A7OZ |
| Chemical Name | Ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate |
| IUPAC Name | ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C8H8F3NO2/c1-2-14-7(13)5-3-4-6(12-5)8(9,10)11/h3-4,12H,2H2,1H3 |
| InChI Key | XRENMYOMRGLFRI-UHFFFAOYSA-N |
| MDL Number | MFCD26516442 |
| Molecular Formula | C8H8F3NO2 |
| Molecular Weight | 207.1498 |
| SMILES | O=C(C1=CC=C(C(F)(F)F)N1)OCC |
| Synonyms | ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate,
1414887-27-6,
ZINC95864151,
AKOS025213959,
2-Ethoxycarbonyl-5-trifluoromethylpyrrole,
Z2027896794,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.152g/mol |
| Monoisotopic Mass | 207.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number