| Formula | C6H3ClN2O4 |
| MW | 202.55 |
| InChIKey | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
| pubchem_compound_cid | 6 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 224 |
| pubchem_cactvs_hbond_acceptor | 4 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADcQBjOAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIEAAAACAqBECAwwIAQQACBACRCQwCCAAAgBwAoiAAAZooIICKB09GAIABggAAIyAcQAAAAAABAAAQAABAAAIAACAAAIAAAAAAAAA== |
| pubchem_iupac_openeye_name | 1-chloro-2,4-dinitro-benzene |
| pubchem_iupac_cas_name | 1-chloro-2,4-dinitrobenzene |
| pubchem_iupac_systematic_name | 1-chloranyl-2,4-dinitro-benzene |
| pubchem_iupac_traditional_name | 1-chloro-2,4-dinitro-benzene |
| pubchem_iupac_inchi | InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
| pubchem_iupac_inchikey | VYZAHLCBVHPDDF-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 0 |
| pubchem_exact_mass | 201.978134 |
| pubchem_molecular_formula | C6H3ClN2O4 |
| pubchem_molecular_weight | 202.55202 |
| pubchem_openeye_can_smiles | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl |
| pubchem_openeye_iso_smiles | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl |
| pubchem_cactvs_tpsa | 91.6 |
| pubchem_monoisotopic_weight | 201.978134 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 13 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_bondannotations | 11 13 8
12 13 8
8 10 8
8 11 8
9 10 8
9 12 8 |
| pubchem_xlogp3 | 2 |
