| CAS Number | 893733-09-0 |
| Catalog Number | AG019ME9 |
| Chemical Name | 5-(2-Fluorophenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(2-fluorophenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H7FO2S/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14) |
| InChI Key | FBPCOHCDZGNURM-UHFFFAOYSA-N |
| MDL Number | MFCD06801919 |
| Molecular Formula | C11H7FO2S |
| Molecular Weight | 222.2355 |
| SMILES | OC(C1SC(C2=C(F)C=CC=C2)=CC=1)=O |
| Synonyms | 5-(2-fluorophenyl)thiophene-2-carboxylic acid,
893733-09-0,
AC1Q73GO,
SCHEMBL5844175,
CTK7C2357,
ZINC11730412,
AKOS002676565,
MCULE-7148451100,
NE44271,
BB 0222899,
EN300-35894,
5-(2-fluorophenyl)-2-thiophenecarboxylic acid,
Z367450974,
2-Thiophenecarboxylic acid, 5-(2-fluorophenyl),
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number