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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156276
CHEMBL156276
Compound Name
ChEMBL Synonyms 2-Bromo-Butane
Max Phase 0
Trade Names
Molecular Formula C4H9Br

Additional synonyms for CHEMBL156276 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)Br
Standard InChI InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
Standard InChI Key UPSXAPQYNGXVBF-UHFFFAOYSA-N

Structural Alerts

There are 7 structural alerts for CHEMBL156276. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL156276

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
137 135.9888 2.24 1 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
- - 2.67 2.67 0 5 0.49

Compound Cross References

ChemSpider ChemSpider:UPSXAPQYNGXVBF-UHFFFAOYSA-N
PubChem SID: 144207831
Wikipedia 2-Bromobutane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156276



ACToR 5787-31-5 78-76-2
eMolecules 487563
IBM Patent System 9C5FC54C0FFCE59CA62C88BE8089D03E
MolPort MolPort-001-768-736
Nikkaji J1.481H J8.062D
NMRShiftDB 10007822
PubChem 6554
PubChem: Thomson Pharma 15958599
SureChEMBL SCHEMBL27724

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