methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate;nickel(2+);dichloride


Chemical Name: methyl (3Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazole-4-carboxylate;nickel(2+);dichloride
CAS Number:
Product Number: AGN-PC-0BFDZI
Synonyms:
MDL No:
Molecular Formula: C38H30Cl2N6NiO6S2
Molecular Weight: 860.4108

Identification/Properties


Computed Properties
Molecular Weight:
527.182g/mol
XLogP3:
7.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
0
Exact Mass:
529.616g/mol
Monoisotopic Mass:
531.617g/mol
Topological Polar Surface Area:
173A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
36.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
5
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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