| CAS Number | 18874-51-6 |
| Catalog Number | AG018FPD(AGN-PC-0O5U3U) |
| Chemical Name | 4-bromo-2-ethyl-5-nitro-1H-imidazole |
| IUPAC Name | 4-bromo-2-ethyl-5-nitro-1H-imidazole |
| InChI | InChI=1S/C5H6BrN3O2/c1-2-3-7-4(6)5(8-3)9(10)11/h2H2,1H3,(H,7,8) |
| InChI Key | ZVIJYFFMEHGGES-UHFFFAOYSA-N |
| MDL Number | MFCD11656477 |
| Molecular Formula | C5H6BrN3O2 |
| Molecular Weight | 220.0240 |
| SMILES | CCC1NC([N+]([O-])=O)=C(Br)N=1 |
| Synonyms | 4-bromo-2-ethyl-5-nitro-1H-imidazole,
18874-51-6,
5-bromo-2-ethyl-4-nitro-1H-imidazole,
4-bromo-2-ethyl-5-nitroimidazole,
5-bromo-2-ethyl-4-nitroimidazole,
BBL032107,
SBB079659,
STK802445,
STL146418,
ZINC31775877,
AKOS000275844,
AKOS000276362,
AKOS005622692,
MCULE-6982448651,
NE54303,
4-bromo-2-ethyl-5-nitro-3H-imidazole,
BB 0241016,
ST51064239,
(5-bromo-2-ethyl-1H-imidazol-4-yl)(hydroxy)oxoammonium,
F2130-0096,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.026g/mol |
| Monoisotopic Mass | 218.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number