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

Structure

InChI Key RUROFEVDCUGKHD-QPJJXVBHSA-N
Smiles BrCC=CC=1C=CC=CC1
InChI
InChI=1/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9Br
Molecular Weight 195.99
AlogP 3.09
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4392-24-9
NORMAN SUSDAT
PubChem 5357478