1,2-dinitrobenzene | SBID = 1109 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 91.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 120.4 | ||
| Sum Formula: | C6H4N2O4 | ||
| M / g/mol: | 168.11 | ||
| Complexity: | 173.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 1,2-dinitrobenzene
- Preferred Abbreviation: 1,2-Dinitrobenzene
- IUPAC Name: 1,2-dinitrobenzene
- CAS: 528-29-0
- CID: 10707
- InChiKey: IZUKQUVSCNEFMJ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
- CanoSmiles: C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
- IsoSmiles: C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
