| CAS Number | 1156729-24-6 |
| Catalog Number | AG01BE9C |
| Chemical Name | 2-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 2-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11ClN2O2/c1-2-9-10(12(16)17)15-11(14-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,14,15)(H,16,17) |
| InChI Key | KBNWQHBFWUPCTE-UHFFFAOYSA-N |
| MDL Number | MFCD12411561 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | CCC1=C(C(O)=O)N=C(C2=CC=C(Cl)C=C2)N1 |
| Synonyms | 2-(4-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylic acid,
1156729-24-6,
ZINC35320728,
AKOS005830457,
NE46808,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number