| CAS Number | 1226001-92-8 |
| Catalog Number | AG01E8D6 |
| Chemical Name | 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16) |
| InChI Key | AZJGRTCDZBQXFC-UHFFFAOYSA-N |
| MDL Number | MFCD16319503 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | CC1=C(C(O)=O)N=C(C2=CC(Cl)=CC=C2)N1 |
| Synonyms | 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid,
CHEMBL1230284,
2-(3-Chloro-Phenyl)-5-Methyl-1h-Imidazole-4-Carboxylic Acid,
1226001-92-8,
BDBM50329862,
ZINC41272047,
AKOS011822476,
AKOS022668767,
MCULE-5721295175,
NE41186,
SC-32356,
Z1696091792,
2-(3-CHLOROPHENYL)-5-METHYL-3H-IMIDAZOLE-4-CARBOXY,
4G2,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number