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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1229889
CHEMBL1229889
Compound Name DIBROMOMETHANE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CH2Br2

Additional synonyms for CHEMBL1229889 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES BrCBr
Standard InChI InChI=1S/CH2Br2/c2-1-3/h1H2
Standard InChI Key FJBFPHVGVWTDIP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1229889

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
173.8 171.8523 1.73 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
- - 1.76 1.76 0 3 0.49

Structural Alerts

There are 8 structural alerts for CHEMBL1229889. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FJBFPHVGVWTDIP-UHFFFAOYSA-N
PubChem SID: 144207608

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1229889



ACToR 74-95-3 4371-77-1
Brenda 48896 135390 3629
ChEBI 47077
ChemicalBook CB7854206
eMolecules 490952
EPA CompTox Dashboard DTXSID4021557
FDA SRS V69B659W01
Mcule MCULE-5148445055
Metabolights MTBLC47077
MolPort MolPort-001-779-708
Nikkaji J1.433H
NMRShiftDB 10931
PDBe 2BM
PubChem 3024
PubChem: Thomson Pharma 15147200
SureChEMBL SCHEMBL20033

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