| CAS Number | 1096308-11-0 |
| Catalog Number | AG01BF9Y |
| Chemical Name | 4-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-6,13H,(H,14,15) |
| InChI Key | LPSXFYIOBIXUBL-UHFFFAOYSA-N |
| MDL Number | MFCD09746414 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | OC(C1C(C2=C(F)C=CC=C2)=CNC=1)=O |
| Synonyms | 4-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid,
1096308-11-0,
ZINC37245234,
AKOS009459455,
NE19709,
Z1893446209,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.188g/mol |
| Monoisotopic Mass | 205.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number