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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60851
CHEMBL60851
Compound Name BROMOACETIC ACID
ChEMBL Synonyms 2-Bromoacetic Acid | Bromoacetic Acid | Bromo-Acetic Acid
Max Phase 0
Trade Names
Molecular Formula C2H3BrO2

Additional synonyms for CHEMBL60851 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CBr
Standard InChI InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
Standard InChI Key KDPAWGWELVVRCH-UHFFFAOYSA-N

Structural Alerts

There are 14 structural alerts for CHEMBL60851. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL60851

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
139 137.9316 0.47 1 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.73 - .51 -3.19 0 5 0.54

Compound Cross References

ChemSpider ChemSpider:KDPAWGWELVVRCH-UHFFFAOYSA-N
PubChem SID: 144207855 SID: 17389676
Wikipedia Bromoacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60851



ACToR 79-08-3 418768-49-7
BindinDB 50119693
DrugBank DB02198
eMolecules 476131
FDA SRS 2B3HS32431
IBM Patent System A0834375B0CB1C3E55E32DB7C199261E
Mcule MCULE-1503716137
MolPort MolPort-001-769-533
Nikkaji J1.492C
NMRShiftDB 10024484
PDBe BXA
PubChem 6227
PubChem: Thomson Pharma 15297316
SureChEMBL SCHEMBL23032

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