| CAS Number | 191668-31-2 |
| Catalog Number | AG00B107(AGN-PC-06OXVR) |
| Chemical Name | 4-(4-Fluorophenyl)-1h-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-(4-fluorophenyl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15/h1-6,13H,(H,14,15) |
| InChI Key | ZIVPFZMWENLWSN-UHFFFAOYSA-N |
| MDL Number | MFCD09746413 |
| Molecular Formula | C11H8FNO2 |
| Molecular Weight | 205.1851 |
| SMILES | O=C(C1=CNC=C1C2=CC=C(F)C=C2)O |
| Synonyms | 4-(4-fluorophenyl)-1H-pyrrole-3-carboxylic acid,
191668-31-2,
SCHEMBL14705876,
ZINC37245360,
AKOS000368901,
MCULE-9387083692,
NE29359,
EN300-87372,
Z1262237305,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number