SODIUM 1H-BENZOTRIAZOLIDE

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Keyword(s): Drinking Water Chemicals ; Plastic additives ; Food Contact Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID4065868

Structure

InChI Key POCQWBKETUXWSC-UHFFFAOYSA-N
Smiles [Na+].N1=NC=2C=CC=CC2[N-]1
InChI
InChI=1/C6H4N3.Na/c1-2-4-6-5(3-1)7-9-8-6;/h1-4H;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5N3
Molecular Weight 141.03
AlogP -2.41
Hydrogen Bond Acceptor 2.0
Polar Surface Area 39.88
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 15217-42-2
NORMAN SUSDAT
PubChem 7220
CONTENTS