| CAS Number | 189756-77-2 |
| Catalog Number | AG01DMAT(AGN-PC-0JK178) |
| Chemical Name | METHYL 5-FORMYL-3-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE |
| IUPAC Name | methyl 5-formyl-3-(trifluoromethyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C8H5F3O3S/c1-14-7(13)6-5(8(9,10)11)2-4(3-12)15-6/h2-3H,1H3 |
| InChI Key | ZPLZSGUMLATIOW-UHFFFAOYSA-N |
| MDL Number | MFCD22689990 |
| Molecular Formula | C8H5F3O3S |
| Molecular Weight | 238.1837 |
| SMILES | COC(=O)C1=C(C=C(S1)C=O)C(F)(F)F |
| Synonyms | METHYL 5-FORMYL-3-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE,
189756-77-2,
SCHEMBL12272187,
ZPLZSGUMLATIOW-UHFFFAOYSA-N,
MFCD22689990,
ZINC91692263,
AKOS027328111,
AS-38712,
3-(Trifluoromethyl)-5-formylthiophene-2-carboxylic acid methyl ester,
5-Formyl-3-trifluoromethyl-thiophene-2-carboxylic acid methyl ester,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.18g/mol |
| Monoisotopic Mass | 237.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number