| CAS Number | 1284226-15-8 |
| Catalog Number | AG019EXS(AGN-PC-0WG49E) |
| Chemical Name | Ethyl 2-(trifluoromethyl)indolizine-1-carboxylate |
| IUPAC Name | ethyl 2-(trifluoromethyl)indolizine-1-carboxylate |
| InChI | InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-8(12(13,14)15)7-16-6-4-3-5-9(10)16/h3-7H,2H2,1H3 |
| InChI Key | WTUJQIHAAUJWQG-UHFFFAOYSA-N |
| MDL Number | MFCD08447583 |
| Molecular Formula | C12H10F3NO2 |
| Molecular Weight | 257.2085 |
| SMILES | CCOC(=O)c1c(cn2ccccc12)C(F)(F)F |
| Synonyms | ethyl 2-(trifluoromethyl)indolizine-1-carboxylate,
1284226-15-8,
2-(TRIFLUOROMETHYL)INDOLIZINE-1-CARBOXYLIC ACID ETHYL ESTER,
CTK6F5774,
MFCD08447583,
ZINC43464457,
TZ001057,
CS-0039044,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.212g/mol |
| Monoisotopic Mass | 257.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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