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Tris(2,2'-bipyridine)cobalt Dichloride

CAT: 0572-TRC-T302520-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T302520-500MGSize:500 mg
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CAS Number
14855-51-7
Synonyms
Tris(2,2'-bipyridine)cobalt(2+) Dichloride;
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Smiles
C12=CC=CC=[N]1[Co+2]34([N]5=CC=CC=C5C6=CC=CC=[N]46)([N]7=CC=CC=C27)[N]8=CC=CC=C8C9=CC=CC=[N]39.[Cl-].[Cl-]
Molecular Formula
C30H24CoN6 • 2[Cl]
Molecular Weight
600.4
InChI
InChI=1S/3C10H8N2.2ClH.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
Shipping Conditions
Room Temperature

Chemical Information

Cobalt(2+), tris(2,2'-bipyridine)-, dichloride

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CAS Number14855-51-7
PubChem CID167181
IUPAC Namecobalt(2+);tris(2-pyridin-2-ylpyridine);dichloride
Molecular FormulaC30H24Cl2CoN6
Molecular Weight598.4
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count39
Formal Charge0
Complexity120
SMILES
C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Cl-].[Cl-].[Co+2]
InChI
InChI=1S/3C10H8N2.2ClH.Co/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;2*1H;/q;;;;;+2/p-2
InChIKey
VRZJCSGVBJRWGY-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Cobalt(2+), tris(2,2'-bipyridine)-, dichloride
CAS: 14855-51-7
CID: 167181
Formula: C30H24Cl2CoN6
MW: 598.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight598.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass597.077144
Monoisotopic Mass597.077144
Topological Polar Surface Area77.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes