| CAS Number | 26431-52-7 |
| Catalog Number | AG002T7L(AGN-PC-00JOT9) |
| Chemical Name | ethyl 2-methyl-4-(trifluoromethyl)furan-3-carboxylate |
| IUPAC Name | ethyl 2-methyl-4-(trifluoromethyl)furan-3-carboxylate |
| InChI | InChI=1S/C9H9F3O3/c1-3-14-8(13)7-5(2)15-4-6(7)9(10,11)12/h4H,3H2,1-2H3 |
| InChI Key | RQRLSFQHDQTZEF-UHFFFAOYSA-N |
| MDL Number | MFCD18633627 |
| Molecular Formula | C9H9F3O3 |
| Molecular Weight | 222.1612 |
| SMILES | CCOC(C1C(C(F)(F)F)=COC=1C)=O |
| Synonyms | 26431-52-7,
ETHYL 2-METHYL-4-(TRIFLUOROMETHYL)FURAN-3-CARBOXYLATE,
3-Furancarboxylic acid, 2-methyl-4-(trifluoromethyl)-, ethyl ester,
SCHEMBL9223224,
CTK0J3288,
DTXSID20475736,
RQRLSFQHDQTZEF-UHFFFAOYSA-N,
AKOS025213850,
AS-36674,
Ethyl 2-methyl-4-trifluoromethyl-3-furancarboxylate,
Ethyl 2-methyl-4-(trifluoromethyl)-3-furancarboxylate,
2-Methyl-4-(trifluoromethyl)furan-3-carboxylic acid ethyl ester,
Ethyl 2-methyl-4-(trifluoromethyl)-3-furancarboxylate, 95+%,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.163g/mol |
| Monoisotopic Mass | 222.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number