3CE
Summary
Name: | 3-chlorobenzene-1,2-diol |
Formula: | C6 H5 Cl O2 |
Formal charge: | 0 |
Formula weight: | 144.556 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 11.02 | 3-chlorobenzene-1,2-diol |
OpenEye OEToolkits | 1.6.1 | 3-chlorobenzene-1,2-diol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc1cccc(O)c1O |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1cccc(Cl)c1O |
SMILES | CACTVS | 3.352 | Oc1cccc(Cl)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H5ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H |
InChIKey | InChI | 1.03 | GQKDZDYQXPOXEM-UHFFFAOYSA-N |