| CAS Number | 209736-21-0 |
| Catalog Number | AG019L4U |
| Chemical Name | 4-(4-fluorophenyl)-5-nitro-1H-imidazole |
| IUPAC Name | 4-(4-fluorophenyl)-5-nitro-1H-imidazole |
| InChI | InChI=1S/C9H6FN3O2/c10-7-3-1-6(2-4-7)8-9(13(14)15)12-5-11-8/h1-5H,(H,11,12) |
| InChI Key | GIIYFQFCQCAPKL-UHFFFAOYSA-N |
| MDL Number | MFCD09863307 |
| Molecular Formula | C9H6FN3O2 |
| Molecular Weight | 207.1612 |
| SMILES | [O-][N+](C1=C(C2=CC=C(F)C=C2)N=CN1)=O |
| Synonyms | 4-(4-fluorophenyl)-5-nitro-1H-imidazole,
209736-21-0,
AC1Q1X00,
CTK7C0244,
CTK8F5383,
ZINC12604482,
NE20770,
EN300-29857,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.164g/mol |
| Monoisotopic Mass | 207.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number