TETRAKIS(TRITOLYL PHOSPHITE )NICKEL

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Keyword(s): Drinking Water Chemicals
Molecule Category Free-form

Structure

InChI Key RUCBZWQAPHSHNX-UHFFFAOYSA-N
Smiles [Ni].Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1.Cc4ccc(OP(Oc5ccc(C)cc5)Oc6ccc(C)cc6)cc4.Cc7ccc(OP(Oc8ccc(C)cc8)Oc9ccc(C)cc9)cc7.Cc%10ccc(OP(Oc%11ccc(C)cc%11)Oc%12ccc(C)cc%12)cc%10
InChI
InChI=1/4C21H21O3P.Ni/c4*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C84H84NiO12P4
Molecular Weight 1466.43
AlogP 25.5
Hydrogen Bond Acceptor 12.0
Number of Rotational Bond 24.0
Polar Surface Area 110.76
Heavy Atoms 101.0

Cross References

Resources Reference
CAS NUMBER 35884-66-3
NORMAN SUSDAT
CONTENTS