| CAS Number | 917909-56-9 |
| Catalog Number | AG006N3B(AGN-PC-0CU4HQ) |
| Chemical Name | Ethyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate |
| IUPAC Name | ethyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C8H8F3NO2S/c1-2-14-7(13)5-4(8(9,10)11)3-15-6(5)12/h3H,2,12H2,1H3 |
| InChI Key | XXOJAIFAWOOYMV-UHFFFAOYSA-N |
| MDL Number | MFCD30293678 |
| Molecular Formula | C8H8F3NO2S |
| Molecular Weight | 239.2148 |
| SMILES | CCOC(C1C(C(F)(F)F)=CSC=1N)=O |
| Synonyms | 917909-56-9,
Ethyl 2-amino-4-(trifluoromethyl)thiophene-3-carboxylate,
3-Thiophenecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester,
SCHEMBL3796442,
CTK3H9162,
DTXSID90731477,
XXOJAIFAWOOYMV-UHFFFAOYSA-N,
ZINC90464052,
AKOS030566401,
Z2719318928,
2-Amino-4-(trifluoromethyl)thiophene-3-carboxylic acid ethyl ester,
2-amino-4-trifluoromethyl-thiophene-3-carboxylic acid ethyl ester,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.212g/mol |
| Monoisotopic Mass | 239.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number