| CAS Number | 1061999-85-6 |
| Catalog Number | AG01A0FO |
| Chemical Name | 5-(4-bromophenoxy)-1-methyl-4-nitro-1H-imidazole |
| IUPAC Name | 5-(4-bromophenoxy)-1-methyl-4-nitroimidazole |
| InChI | InChI=1S/C10H8BrN3O3/c1-13-6-12-9(14(15)16)10(13)17-8-4-2-7(11)3-5-8/h2-6H,1H3 |
| InChI Key | ZNEXPAPTIKHSPO-UHFFFAOYSA-N |
| MDL Number | MFCD07993703 |
| Molecular Formula | C10H8BrN3O3 |
| Molecular Weight | 298.0928 |
| SMILES | CN1C(OC2=CC=C(Br)C=C2)=C([N+]([O-])=O)N=C1 |
| Synonyms | 5-(4-bromophenoxy)-1-methyl-4-nitro-1H-imidazole,
1061999-85-6,
ZINC8308567,
AKOS009047246,
MCULE-1935468410,
NE30993,
Z127013438,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.096g/mol |
| Monoisotopic Mass | 296.975g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number