TF4
Summary
Name: | DICHLORO-ACETIC ACID |
Formula: | C2 H2 Cl2 O2 |
Formal charge: | 0 |
Formula weight: | 128.942 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | dichloroacetic acid |
OpenEye OEToolkits | 1.5.0 | 2,2-dichloroethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC(Cl)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(Cl)Cl |
SMILES | CACTVS | 3.341 | OC(=O)C(Cl)Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)(Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)(Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
InChIKey | InChI | 1.03 | JXTHNDFMNIQAHM-UHFFFAOYSA-N |