CHLORAMINE-T

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Free-form
UNII 4IU6VSV0EI
EPA CompTox DTXSID6040795

Structure

InChI Key VDQQXEISLMTGAB-UHFFFAOYSA-N
Smiles [Na+].O=S(=O)([N-]Cl)C1=CC=C(C=C1)C
InChI
InChI=1/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8ClNO2S
Molecular Weight 226.98
AlogP -0.78
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 48.24
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7080-50-4
NORMAN SUSDAT
FDA SRS 4IU6VSV0EI
PubChem 3641960
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