TRIS(N-HYDROXY-N-NITROSOPHENYLAMINATO-O,O')ALUMINIUM

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Keyword(s): Plastic additives ; Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key PMSRCBOGDIMQAT-UHFFFAOYSA-N
Smiles O=NN(O[Al](ON(N=O)c1ccccc1)ON(N=O)c2ccccc2)c3ccccc3
InChI
InChI=1/3C6H5N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5H;/q3*-1;+3/rC18H15AlN6O6/c26-20-23(16-10-4-1-5-11-16)29-19(30-24(21-27)17-12-6-2-7-13-17)31-25(22-28)18-14-8-3-9-15-18/h1-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15AlN6O6
Molecular Weight 438.09
AlogP 4.33
Hydrogen Bond Acceptor 9.0
Number of Rotational Bond 12.0
Polar Surface Area 125.7
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 15305-07-4
NORMAN SUSDAT
CONTENTS