+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YAN | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - 1,2-Dichlorobenzene: 1,2-Dichlorobenzene, or orthodichlorobenzene , is an aryl chloride and isomer of dichlorobenzene with the formula C6H4Cl2. This colourless liquid is poorly soluble in water but miscible with most organic solvents... | |
-Chemical information
Composition | Formula: C6H4Cl2 / Number of atoms: 12 / Formula weight: 147.002 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YAN / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 | ||||
History |
| ||||
External links | Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
---|
-PDB entries
Showing all 1 items
PDB-2oty:
1,2-dichlorobenzene in complex with T4 Lysozyme L99A