| CAS Number | 505082-90-6 |
| Catalog Number | AG00I92L |
| Chemical Name | 2-Fluoro-4-(thiophen-2-yl)benzoic acid |
| IUPAC Name | 2-fluoro-4-thiophen-2-ylbenzoic acid |
| InChI | InChI=1S/C11H7FO2S/c12-9-6-7(10-2-1-5-15-10)3-4-8(9)11(13)14/h1-6H,(H,13,14) |
| InChI Key | OCVGEXOQIJBJIP-UHFFFAOYSA-N |
| MDL Number | MFCD09042180 |
| Molecular Formula | C11H7FO2S |
| Molecular Weight | 222.2355 |
| SMILES | OC(C1=C(F)C=C(C2SC=CC=2)C=C1)=O |
| Synonyms | 2-FLUORO-4-(THIOPHEN-2-YL)BENZOIC ACID,
505082-90-6,
2-fluoro-4-thien-2-ylbenzoic acid,
AC1Q72B8,
SCHEMBL4652841,
CTK7I8177,
DTXSID80588053,
MFCD09042180,
ZINC21950494,
AKOS000124628,
MCULE-5404883716,
NE59414,
Benzoic acid, 2-fluoro-4-(2-thienyl)-,
EN300-38883,
Z397585776,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.233g/mol |
| Monoisotopic Mass | 222.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number