| CAS Number | 26431-53-8 |
| Catalog Number | AG00CDU0(AGN-PC-03G4C7) |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)-3-furancarboxylic acid |
| IUPAC Name | 2-methyl-4-(trifluoromethyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C7H5F3O3/c1-3-5(6(11)12)4(2-13-3)7(8,9)10/h2H,1H3,(H,11,12) |
| InChI Key | HYQRECPLHAOWIE-UHFFFAOYSA-N |
| MDL Number | MFCD11557151 |
| Molecular Formula | C7H5F3O3 |
| Molecular Weight | 194.1080 |
| SMILES | CC1=C(C(O)=O)C(C(F)(F)F)=CO1 |
| Synonyms | 26431-53-8,
2-Methyl-4-(trifluoromethyl)furan-3-carboxylic acid,
2-METHYL-4-(TRIFLUOROMETHYL)-3-FURANCARBOXYLIC ACID,
SCHEMBL8304086,
HYQRECPLHAOWIE-UHFFFAOYSA-N,
MFCD11557151,
ZINC26506525,
AKOS005167023,
CS-0037568,
2-methyl-4-trifluoromethyl-3-furancarboxylic acid,
Z2755724093,
2-Methyl-4-(trifluoromethyl)-3-furancarboxylic acid , 95+%,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.109g/mol |
| Monoisotopic Mass | 194.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number