| CAS Number | 855672-46-7 |
| Catalog Number | AG01AQM9(AGN-PC-0WCO7R) |
| Chemical Name | 4-(4-Fluorophenyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2/c12-9-3-1-7(2-4-9)8-5-10(11(14)15)13-6-8/h1-6,13H,(H,14,15) |
| InChI Key | AOEGVJNSAAVOLR-UHFFFAOYSA-N |
| MDL Number | MFCD16631895 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | FC1=CC=C(C=C1)C=1C=C(NC1)C(=O)O |
| Synonyms | 4-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid,
855672-46-7,
ZINC38478320,
AKOS015957514,
MCULE-1268145395,
L-3892,
F2167-0165,
|
| Complexity | 239 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number