| CID | 65 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 106 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADcYBgMAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACAAACAaAkCAwBoAAAgCAACBCAAACAAAgJUAAiAAGC4gIJiKDEhKAcAAkwBEImAfAQAAAAQAQAQAACAACACACAAAQAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,5-dichlorobenzene-1,4-diol |
| pubchem_iupac_cas_name | 2,5-dichlorobenzene-1,4-diol |
| pubchem_iupac_systematic_name | 2,5-dichlorobenzene-1,4-diol |
| pubchem_iupac_traditional_name | 2,5-dichlorohydroquinone |
| pubchem_nist_inchi | InChI=1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 177.958835 |
| pubchem_molecular_formula | C6H4Cl2O2 |
| pubchem_molecular_weight | 179.00076 |
| pubchem_openeye_can_smiles | C1=C(C(=CC(=C1Cl)O)Cl)O |
| pubchem_openeye_iso_smiles | C1=C(C(=CC(=C1Cl)O)Cl)O |
| pubchem_cactvs_tpsa | 40.5 |
| pubchem_monoisotopic_weight | 177.958835 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| 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 | 4 |
| pubchem_bondannotations | 5 7 8
5 9 8
6 10 8
6 8 8
7 10 8
8 9 8 |
