HXX
Summary
Name: | 3,6-dichloro-2-hydroxybenzoic acid |
Synonyms: | 3,6 dichlorosalicylic acid |
Formula: | C7 H4 Cl2 O3 |
Formal charge: | 0 |
Formula weight: | 207.011 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3,6-dichloro-2-hydroxybenzoic acid |
OpenEye OEToolkits | 1.5.0 | 3,6-dichloro-2-hydroxy-benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccc(Cl)c(C(=O)O)c1O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1c(Cl)ccc(Cl)c1O |
SMILES | CACTVS | 3.341 | OC(=O)c1c(Cl)ccc(Cl)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1Cl)C(=O)O)O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1Cl)C(=O)O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) |
InChIKey | InChI | 1.03 | FKIKPQHMWFZFEB-UHFFFAOYSA-N |