| CAS Number | 1096977-35-3 |
| Catalog Number | AG01ABFR |
| Chemical Name | 5-[4-(difluoromethoxy)phenyl]thiophene-2-carboxylic acid |
| IUPAC Name | 5-[4-(difluoromethoxy)phenyl]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H8F2O3S/c13-12(14)17-8-3-1-7(2-4-8)9-5-6-10(18-9)11(15)16/h1-6,12H,(H,15,16) |
| InChI Key | GEIKDXXXDUHSIO-UHFFFAOYSA-N |
| MDL Number | MFCD11540899 |
| Molecular Formula | C12H8F2O3S |
| Molecular Weight | 270.2519 |
| SMILES | OC(C1SC(C2=CC=C(OC(F)F)C=C2)=CC=1)=O |
| Synonyms | 5-[4-(difluoromethoxy)phenyl]thiophene-2-carboxylic acid,
1096977-35-3,
AC1Q73GX,
SBB078891,
ZINC37326656,
AKOS005137773,
MCULE-1983315442,
NE27561,
EN300-71486,
Z1270358418,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.25g/mol |
| Monoisotopic Mass | 270.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number