CH8
5-CHLORO-2-PHENOXYPHENOL
Created: | 2012-03-04 |
Last modified: | 2014-05-14 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
---|---|
Name | 5-CHLORO-2-PHENOXYPHENOL |
Systematic Name (OpenEye OEToolkits) | 5-chloranyl-2-phenoxy-phenol |
Formula | C12 H9 Cl O2 |
Molecular Weight | 220.652 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2cc(O)c(Oc1ccccc1)cc2 |
SMILES | CACTVS | 3.370 | Oc1cc(Cl)ccc1Oc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2O)Cl |
Canonical SMILES | CACTVS | 3.370 | Oc1cc(Cl)ccc1Oc2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Oc2ccc(cc2O)Cl |
InChI | InChI | 1.03 | InChI=1S/C12H9ClO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H |
InChIKey | InChI | 1.03 | ZVTLRRZWZYDDLD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 5271320 |
ChEMBL | CHEMBL149299 |