Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90916989

Structure

InChI Key SSIOQROWLGWJAH-UHFFFAOYSA-N
Smiles BrC1=CC=C(O)C(O)=C1C
InChI
InChI=1/C7H7BrO2/c1-4-5(8)2-3-6(9)7(4)10/h2-3,9-10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7BrO2
Molecular Weight 201.96
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 93940-91-1
NORMAN SUSDAT
PubChem 3022990