SODIUM 4(OR 5)-METHYL-1H-BENZOTRIAZOLIDE

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Keyword(s): Food Contact Chemicals ; Plastic additives ; Drinking Water Chemicals
Molecule Category Salt-form
EPA CompTox DTXSID4028125

Structure

InChI Key REERYFLJRPUSHT-UHFFFAOYSA-N
Smiles [Na+].N1=NC=2C([N-]1)=CC=CC2C
InChI
InChI=1/C7H6N3.Na/c1-5-3-2-4-6-7(5)9-10-8-6;/h2-4H,1H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7N3
Molecular Weight 155.05
AlogP -2.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 39.88
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 64665-57-2
NORMAN SUSDAT
PubChem 122499
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