Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YMOONIIMQBGTDU-VOTSOKGWSA-N
Smiles BrC=Cc1ccccc1
InChI
InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7Br1
Molecular Weight 181.97
AlogP 3.05
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 103-64-0
NORMAN SUSDAT
PubChem 5314126
ChemSpider 4473543.0