| Molecular Formula | C7H3ClN2O2 |
| Canonicalized Compound | 1 |
| Compound Complexity | 229 |
| Hydrogen Bond Acceptor Count | 3 |
| Allowed IUPAC Name | 2-chloro-5-nitro-benzonitrile |
| CAS-like Style IUPAC Name | 2-chloro-5-nitrobenzonitrile |
| Markup IUPAC Name | 2-chloro-5-nitrobenzonitrile |
| Preferred IUPAC Name | 2-chloro-5-nitrobenzonitrile |
| Systematic IUPAC Name | 2-chloranyl-5-nitro-benzenecarbonitrile |
| Traditional IUPAC Name | 2-chloro-5-nitro-benzonitrile |
| Standard InChI | InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H |
| Standard InChIKey | ZGILLTVEEBNDOB-UHFFFAOYSA-N |
| Exact Mass | 181.9883050 |
| Molecular Weight | 182.56 |
| Canonical SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
| Polar Surface Area Topological | 69.6 |
| MonoIsotopic Weight | 181.9883050 |
| XLogP3 Log P | 2.2 |
| Chemical Structure |  |
| Class | Specialty Materials |
