| CAS Number | 1000932-75-1 |
| Catalog Number | AG019LBM(AGN-PC-0WO6J2) |
| Chemical Name | 2-([(Difluoromethyl)thio]methyl)-3-furoic acid |
| IUPAC Name | 2-(difluoromethylsulfanylmethyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C7H6F2O3S/c8-7(9)13-3-5-4(6(10)11)1-2-12-5/h1-2,7H,3H2,(H,10,11) |
| InChI Key | WGCGYFVAXAWGDY-UHFFFAOYSA-N |
| MDL Number | MFCD09863400 |
| Molecular Formula | C7H6F2O3S |
| Molecular Weight | 208.1825 |
| SMILES | OC(C1=C(CSC(F)F)OC=C1)=O |
| Synonyms | 2-{[(difluoromethyl)sulfanyl]methyl}furan-3-carboxylic acid,
1000932-75-1,
2-{[(difluoromethyl)thio]methyl}-3-furoic acid,
AC1Q72AB,
CTK7B7687,
ZINC20281595,
AKOS026728219,
MCULE-7718236160,
EN300-30718,
Z425387584,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.179g/mol |
| Monoisotopic Mass | 208.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number