| CAS Number | 444326-49-2 |
| Catalog Number | AG00I8FE |
| Chemical Name | ethyl 2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 2-bromo-5-(trifluoromethyl)-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C7H6BrF3N2O2/c1-2-15-5(14)3-4(7(9,10)11)13-6(8)12-3/h2H2,1H3,(H,12,13) |
| InChI Key | VHSMVVWMAHWZER-UHFFFAOYSA-N |
| MDL Number | MFCD26407332 |
| Molecular Formula | C7H6BrF3N2O2 |
| Molecular Weight | 287.0339 |
| SMILES | CCOC(=O)C1=C(NC(=N1)Br)C(F)(F)F |
| Synonyms | ETHYL 2-BROMO-5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-4-CARBOXYLATE,
444326-49-2,
SCHEMBL5384270,
VHSMVVWMAHWZER-UHFFFAOYSA-N,
MFCD26407332,
VT1444,
ZINC95831121,
ethyl 2-bromo-4-trifluoromethyl-1H-imidazole-5-carboxylate,
2-bromo-5-trifluoromethyl-3H-imidazole-4-carboxylic acid ethyl ester,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.036g/mol |
| Monoisotopic Mass | 285.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number