Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4B3KQP77SN

Structure

InChI Key OZGMODDEIHYPRY-UHFFFAOYSA-N
Smiles O=C(Cl)C(Br)C
InChI
InChI=1/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4BrClO
Molecular Weight 169.91
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 7148-74-5
NORMAN SUSDAT
FDA SRS 4B3KQP77SN
PubChem 97980