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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL298461
CHEMBL298461
Compound Name 1,2-DICHLOROBENZENE
ChEMBL Synonyms 1,2-Dichlorobenzene | 1,2-Dichloro-Benzene
Max Phase 0
Trade Names
Molecular Formula C6H4Cl2

Additional synonyms for CHEMBL298461 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1Cl
Standard InChI InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
Standard InChI Key RFFLAFLAYFXFSW-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL298461

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
147 145.969 3.16 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.44 3.44 1 8 0.53

Structural Alerts

There are no structural alerts for CHEMBL298461

Compound Cross References

ChemSpider ChemSpider:RFFLAFLAYFXFSW-UHFFFAOYSA-N
PubChem SID: 144204581 SID: 144209355 SID: 17389934
Wikipedia 1,2-Dichlorobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL298461



ACToR 25321-22-6 95-50-1 24634-92-2
ChEBI 35290
eMolecules 490972
EPA CompTox Dashboard DTXSID6020430
FDA SRS 6PJ93I88XL
IBM Patent System C9724AB1310D43B16FCE66A47082C688
KEGG Ligand C14328
Mcule MCULE-4275292262
MolPort MolPort-000-872-043
Nikkaji J3.951I
NMRShiftDB 10006306
PDBe YAN
PubChem 7239
PubChem: Thomson Pharma 14818279
SureChEMBL SCHEMBL5190
ZINC ZINC00388506

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RFFLAFLAYFXFSW-UHFFFAOYSA-N spacer
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