| CAS Number | 915230-46-5 |
| Catalog Number | AG00IGQV(AGN-PC-0WOFUB) |
| Chemical Name | 4-(trifluoromethyl)-1H-imidazole-2-carboxylicacid |
| IUPAC Name | 5-(trifluoromethyl)-1H-imidazole-2-carboxylic acid |
| InChI | InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-3(10-2)4(11)12/h1H,(H,9,10)(H,11,12) |
| InChI Key | UDZUPOZUVYNZMM-UHFFFAOYSA-N |
| MDL Number | MFCD14583619 |
| Molecular Formula | C5H3F3N2O2 |
| Molecular Weight | 180.0847 |
| SMILES | C(F)(F)(F)c1[nH]c(nc1)C(=O)O |
| Synonyms | 915230-46-5,
5-(trifluoromethyl)-1H-imidazole-2-carboxylic acid,
4-(trifluoromethyl)-1h-imidazole-2-carboxylic acid,
4-(trifluoromethyl)-1H-imidazole-2-carboxylicacid,
1H-Imidazole-2-carboxylic acid, 5-(trifluoromethyl)-,
SCHEMBL1970186,
CTK8E4633,
UDZUPOZUVYNZMM-UHFFFAOYSA-N,
MFCD14583619,
ZINC39132752,
AKOS022707368,
AKOS023590799,
FCH1145190,
TX-016858,
EN300-191672,
4-Trifluoromethyl-1H-imidazole-2-carboxylic acid,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.086g/mol |
| Monoisotopic Mass | 180.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number