Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80930598

Structure

InChI Key AXCQKKVGMZCWPC-UHFFFAOYSA-N
Smiles BrC=1C=C(O)C=C(Br)C1C
InChI
InChI=1/C7H6Br2O/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Br2O
Molecular Weight 263.88
AlogP 3.23
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13979-81-2
NORMAN SUSDAT
PubChem 55457