| CID | 13 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 94 |
| pubchem_cactvs_hbond_acceptor | 0 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADcQBgAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIAAAAACAKAECAwAIAAAACAACBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAAAAAAAAQAACAAAQAACAAAQAACAAAAAAAAA== |
| pubchem_iupac_openeye_name | 1,2,4-trichlorobenzene |
| pubchem_iupac_cas_name | 1,2,4-trichlorobenzene |
| pubchem_iupac_systematic_name | 1,2,4-trichlorobenzene |
| pubchem_iupac_traditional_name | 1,2,4-trichlorobenzene |
| pubchem_nist_inchi | InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 179.930033 |
| pubchem_molecular_formula | C6H3Cl3 |
| pubchem_molecular_weight | 181.44702 |
| pubchem_openeye_can_smiles | C1=CC(=C(C=C1Cl)Cl)Cl |
| pubchem_openeye_iso_smiles | C1=CC(=C(C=C1Cl)Cl)Cl |
| pubchem_cactvs_tpsa | 0 |
| pubchem_monoisotopic_weight | 179.930033 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 9 |
| 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_bondannotations | 4 5 8
4 6 8
5 8 8
6 7 8
7 9 8
8 9 8 |
