Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3WY7Z6MQN8
EPA CompTox DTXSID1049350

Structure

InChI Key NIDSRGCVYOEDFW-UHFFFAOYSA-N
Smiles ClCCCCBr
InChI
InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Br1Cl1
Molecular Weight 169.95
AlogP 2.4
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6940-78-9
NORMAN SUSDAT
FDA SRS 3WY7Z6MQN8
PubChem 81364
ChemSpider 73412.0