| Formula | C4H7Cl2NO2 |
| MW | 172.01 |
| InChIKey | DGJTWBMINQYSMS-REOHCLBHSA-N |
| pubchem_compound_cid | 24995 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 107 |
| pubchem_cactvs_hbond_acceptor | 3 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADcYBiMAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgIQCAAACCvBgMQACABAAgAIAACQCAAAAAAAAAAAAIGAAgACABABAAAAQAAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | (2S)-2-amino-4,4-dichloro-butanoic acid |
| pubchem_iupac_cas_name | (2S)-2-amino-4,4-dichlorobutanoic acid |
| pubchem_iupac_systematic_name | (2S)-2-azanyl-4,4-bis(chloranyl)butanoic acid |
| pubchem_iupac_traditional_name | (2S)-2-amino-4,4-dichloro-butyric acid |
| pubchem_iupac_inchi | InChI=1S/C4H7Cl2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1 |
| pubchem_iupac_inchikey | DGJTWBMINQYSMS-REOHCLBHSA-N |
| pubchem_xlogp3_aa | -1.7 |
| pubchem_exact_mass | 170.985384 |
| pubchem_molecular_formula | C4H7Cl2NO2 |
| pubchem_molecular_weight | 172.00988 |
| pubchem_openeye_can_smiles | C(C(C(=O)O)N)C(Cl)Cl |
| pubchem_openeye_iso_smiles | C([C@@H](C(=O)O)N)C(Cl)Cl |
| pubchem_cactvs_tpsa | 63.3 |
| pubchem_monoisotopic_weight | 170.985384 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 9 |
| pubchem_atom_def_stereo_count | 1 |
| 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 | 6 5 6 |
| pubchem_xlogp3 | 0 |
