Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P729MU9UG6
EPA CompTox DTXSID70168489

Structure

InChI Key SCQYFFYVHXLAQV-UHFFFAOYSA-N
Smiles O=C(Br)C(Br)Br
InChI
InChI=1/C2HBr3O/c3-1(4)2(5)6/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2HBr3O
Molecular Weight 277.76
AlogP 2.02
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 1681-24-9
NORMAN SUSDAT
FDA SRS P729MU9UG6
PubChem 74306