| Formula | C4H6Cl2O2 |
| MW | 157 |
| InChIKey | QRNBACUXNLBSDC-UHFFFAOYSA-N |
| pubchem_compound_cid | 24998 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 84 |
| pubchem_cactvs_hbond_acceptor | 2 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADcYBgMAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAAAAOggEICCAAABAAIAACQCAAAAAAAAAAAAEAAAQAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 1,2-dichloroethyl acetate |
| pubchem_iupac_cas_name | acetic acid 1,2-dichloroethyl ester |
| pubchem_iupac_systematic_name | 1,2-bis(chloranyl)ethyl ethanoate |
| pubchem_iupac_traditional_name | acetic acid 1,2-dichloroethyl ester |
| pubchem_iupac_inchi | InChI=1S/C4H6Cl2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3 |
| pubchem_iupac_inchikey | QRNBACUXNLBSDC-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 1.5 |
| pubchem_exact_mass | 155.974485 |
| pubchem_molecular_formula | C4H6Cl2O2 |
| pubchem_molecular_weight | 156.99524 |
| pubchem_openeye_can_smiles | CC(=O)OC(CCl)Cl |
| pubchem_openeye_iso_smiles | CC(=O)OC(CCl)Cl |
| pubchem_cactvs_tpsa | 26.3 |
| pubchem_monoisotopic_weight | 155.974485 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 8 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| 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 | 5 1 3 |
| pubchem_xlogp3 | 0 |
