| CID | 62 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 197 |
| pubchem_cactvs_hbond_acceptor | 1 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 0 |
| pubchem_cactvs_subskeys | AAADcYBgIAAGAAAAAAAAAAAAAAAAAAAAAAAiAAAAAAAAAAAAAAAAGgIACAAACBeggEIAAAAAAgCAACBCAAAAAAAgAAAACEAAAwgAFAAAAQAAEAAAAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2,4,5-trichlorocyclohexa-2,5-dien-1-ol |
| pubchem_iupac_cas_name | 2,4,5-trichloro-1-cyclohexa-2,5-dienol |
| pubchem_iupac_systematic_name | 2,4,5-trichlorocyclohexa-2,5-dien-1-ol |
| pubchem_iupac_traditional_name | 2,4,5-trichlorocyclohexa-2,5-dien-1-ol |
| pubchem_nist_inchi | InChI=1S/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 197.940598 |
| pubchem_molecular_formula | C6H5Cl3O |
| pubchem_molecular_weight | 199.4623 |
| pubchem_openeye_can_smiles | C1=C(C(C=C(C1O)Cl)Cl)Cl |
| pubchem_openeye_iso_smiles | C1=C(C(C=C(C1O)Cl)Cl)Cl |
| pubchem_cactvs_tpsa | 20.2 |
| pubchem_monoisotopic_weight | 197.940598 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 10 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 2 |
| 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 | 6 1 3
5 4 3 |
