1H-PYRAZOLE, 4-BROMO-1-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40166351

Structure

InChI Key IXJSDKIJPVSPKF-UHFFFAOYSA-N
Smiles Cn1cc(Br)cn1
InChI
InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Br1N2
Molecular Weight 159.96
AlogP 1.18
Hydrogen Bond Acceptor 2.0
Polar Surface Area 17.82
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 15803-02-8
NORMAN SUSDAT
PubChem 167433
ChemSpider 146476.0
CONTENTS