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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16068
CHEMBL16068
Compound Name BROMOBENZENE
ChEMBL Synonyms Bromo-Benzene | Bromobenzene
Max Phase 0
Trade Names
Molecular Formula C6H5Br

Additional synonyms for CHEMBL16068 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Brc1ccccc1
Standard InChI InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
Standard InChI Key QARVLSVVCXYDNA-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL16068

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
157 155.9575 2.58 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
- - 2.94 2.94 1 7 0.54

Structural Alerts

There are 2 structural alerts for CHEMBL16068. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QARVLSVVCXYDNA-UHFFFAOYSA-N
PubChem SID: 144208047 SID: 14719296 SID: 17389135 SID: 26753118
Wikipedia Bromobenzene

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16068



ACToR 108-86-1
Atlas bromobenzene
ChEBI 3179
eMolecules 484570
EPA CompTox Dashboard DTXSID5024637
FDA SRS CO4D5J547L
IBM Patent System 031AB244EC1317446A822B77E55BA6BC
KEGG Ligand C11036
Mcule MCULE-5539191636
MolPort MolPort-000-871-977
Nikkaji J2.867C
NMRShiftDB 10005819
PubChem 7961
PubChem: Thomson Pharma 14891665
SureChEMBL SCHEMBL1542
ZINC ZINC00900729

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