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Nickel(II) 2-amino-5-methylbenzenesulfonate

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Catalog Number

ACM375387136-1

Product Name

CAS

375387-13-6

Synonyms

4-Aminotoluene-3-sulfonic acid nickel(II) salt

IUPAC Name

2-amino-5-methylbenzenesulfonate;nickel(2+);

Molecular Weight

431.1

Molecular Formula

C14H16N2NiO6S2

Canonical SMILES

CC1=CC(=C(C=C1)N)S(=O)(=O)[O-].CC1=CC(=C(C=C1)N)S(=O)(=O)[O-].[Ni+2]

InChI

InChI=1S/2C7H9NO3S.Ni/c2*1-5-2-3-6(8)7(4-5)12(9,10)11;/h2*2-4H,8H2,1H3,(H,9,10,11);/q;+2/p-2

InChI Key

JFVHHXOSEDMKHN-UHFFFAOYSA-L

Purity

95%+

Appearance

Green to dark green white to light yellow

Complexity

231

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

429.98032

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

429.98032

Rotatable Bond Count

Topological Polar Surface Area

183 Å²

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