CAS 23295-32-1|Chloro(N,N'-dihydroxy-2,3-butanediimine-κ2N,N')(N-hydroxy-2,3-butanediiminato-κ2N,N')(methanol)cobalt - pyridine (1:1)|5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ<sup>5...

General Information

Structure

Molecular Formula

C₁₃H₂₁ClCoN₅O₄++++

Molecular Mass

405.72314

Exact Mass

405.06140186

Charge

InChI

InChI=1S/C5H5N.2C4H8N2O2.ClH.Co/c1-2-4-6-5-3-1;2*1-3(5-7)4(2)6-8;;/h1-5H;2*7-8H,1-2H3;1H;/q;;;;+5/p-1/b;2*5-3+,6-4+;;

InChIKey

ZBTAFPWTYNGVDG-DVTASQICSA-M

Canonic Smiles

CC1=[N](O)[Co+3]2([N](=C1C)O)(Cl)([n+]1ccccc1)[N](=C(C(=[N]2O)C)C)O

Isomeric Smiles

[N]1(=C(C(=[N](O)[Co+3]21([N](=C(C(=[N]2O)C)C)O)(Cl)[n+]1ccccc1)C)C)O

Calculated Properties

JChem

H Acceptors

H Donor

Molar Refractivity

131.9348

Polar Surface Area

161.64

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Wikipedia

Chloro(pyridine)cobaloxime

Data Source

Names and Identifiers

Synonyms

Chloro(N,N'-dihydroxy-2,3-butanediimine-κ2N,N')(N-hydroxy-2,3-butanediiminato-κ2N,N')(methanol)cobalt - pyridine (1:1)Chloro(pyridine)cobaloximeChloro(pyridine)bis(dimethylglyoximato)cobalt(III)

IUPAC Traditional name

5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ⁵-pyridin-1-ylium-1-yl)-1λ⁴,4λ⁴,6λ⁴,9λ⁴-tetraaza-5-cobaltaspiro[4.4]nona-1,3,6,8-tetraene-5,5,5-tris(ylium)

IUPAC name

5-chloro-1,4,6,9-tetrahydroxy-2,3,7,8-tetramethyl-5-(1λ⁵-pyridin-1-ylium-1-yl)-1λ⁴,4λ⁴,6λ⁴,9λ⁴-tetraaza-5-cobaltaspiro[4.4]nona-1,3,6,8-tetraene-5,5,5-tris(ylium)

Names and Identifiers

Registration numbers

Chemspider ID

17207432

PubChem CID

24860975

Wikipedia Title

Chloro(pyridine)cobaloxime

CAS Number

23295-32-1

Registration numbers

Properties