| CAS Number | 202400-94-0 |
| Catalog Number | AG01AB03(AGN-PC-00P1NA) |
| Chemical Name | 3-(Difluoromethoxy)thiophene-2-carboxylic acid |
| IUPAC Name | 3-(difluoromethoxy)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4F2O3S/c7-6(8)11-3-1-2-12-4(3)5(9)10/h1-2,6H,(H,9,10) |
| InChI Key | ACQJRBMWSRPAPD-UHFFFAOYSA-N |
| MDL Number | MFCD17977021 |
| Molecular Formula | C6H4F2O3S |
| Molecular Weight | 194.1560 |
| SMILES | OC(C1=C(OC(F)F)C=CS1)=O |
| Synonyms | 3-(difluoromethoxy)thiophene-2-carboxylic acid,
202400-94-0,
AC1Q72J3,
SCHEMBL6581018,
ACQJRBMWSRPAPD-UHFFFAOYSA-N,
ZINC34541803,
AKOS012584048,
MCULE-6912620997,
NE16232,
3-difluoromethoxy-thiophene-2-carboxylic acid,
EN300-70063,
Z1171978800,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.152g/mol |
| Monoisotopic Mass | 193.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number