| CAS Number | 1258650-12-2 |
| Catalog Number | AG019V4F(AGN-PC-0WO3PH) |
| Chemical Name | 4-chloro-1-ethyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-chloro-1-ethylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H8ClNO2/c1-2-9-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3,(H,10,11) |
| InChI Key | QOQIVKRHJNMVAZ-UHFFFAOYSA-N |
| MDL Number | MFCD17976954 |
| Molecular Formula | C7H8ClNO2 |
| Molecular Weight | 173.5969 |
| SMILES | CCN1C(C(O)=O)=CC(Cl)=C1 |
| Synonyms | 4-chloro-1-ethyl-1H-pyrrole-2-carboxylic acid,
1258650-12-2,
AC1Q310S,
ZINC57214301,
AKOS026727293,
MCULE-9503468654,
EN300-43705,
Z1171979209,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.596g/mol |
| Monoisotopic Mass | 173.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number