| CAS Number | 1153734-86-1 |
| Catalog Number | AG01A2OT(AGN-PC-0WORKA) |
| Chemical Name | 5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acid |
| InChI | InChI=1S/C12H9F3N2O2/c1-6-9(11(18)19)17-10(16-6)7-3-2-4-8(5-7)12(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19) |
| InChI Key | HRUGKWPGIJLEOT-UHFFFAOYSA-N |
| MDL Number | MFCD12668220 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.2073 |
| SMILES | CC1=C(C(O)=O)N=C(C2=CC(C(F)(F)F)=CC=C2)N1 |
| Synonyms | 5-methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acid,
1153734-86-1,
CHEMBL1269151,
4-Methyl-2-(3-(trifluoromethyl)phenyl)-1H-imidazole-5-carboxylic acid,
5-methyl-2-(3-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid,
BDBM50329859,
ZINC35320770,
AKOS009482632,
MCULE-8536116680,
NE29282,
SC-31757,
Z1536943089,
5-METHYL-2-(3-TRIFLUOROMETHYLPHENYL)-3H-IMIDAZOLE-,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.061612g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.21g/mol |
| Monoisotopic Mass | 270.061612g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number