| CAS Number | 13230-08-5 |
| Catalog Number | AG01DYNK |
| Chemical Name | 4-nitro-1-propyl-1H-imidazole |
| IUPAC Name | 4-nitro-1-propylimidazole |
| InChI | InChI=1S/C6H9N3O2/c1-2-3-8-4-6(7-5-8)9(10)11/h4-5H,2-3H2,1H3 |
| InChI Key | YYYLBBHRZVIYQC-UHFFFAOYSA-N |
| MDL Number | MFCD29949330 |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| SMILES | CCCN1C=C([N+]([O-])=O)N=C1 |
| Synonyms | 4-nitro-1-propyl-1H-imidazole,
13230-08-5,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.157g/mol |
| Monoisotopic Mass | 155.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number