1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3-DICHLORO-, SODIUM SALT, DIHYDRATE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form
EPA CompTox DTXSID3024994

Structure

InChI Key MSFGZHUJTJBYFA-UHFFFAOYSA-M
Smiles [Na+].ClN1C(=O)[N-]C(=O)N(Cl)C1=O
InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl2N3NaO3
Molecular Weight 218.92
AlogP -4.51
Hydrogen Bond Acceptor 6.0
Polar Surface Area 79.95
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2893-78-9
NORMAN SUSDAT
CONTENTS