KP1019

CAT: 0926-ZEA87520-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-ZEA87520-01Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

124875-20-3

MDL Number

MFCD00892953

Smiles

CN (CC1CCOCC1) C2=C (C=CC=N2) C (=O) O

Molecular Formula

C21H19Cl4N6Ru-

Molecular Weight

598.3 g/mol

Controlled

Chemical Information

KP-1019

CAS Number	124875-20-3
PubChem CID	133083029
IUPAC Name	bis(1H-indazole);1H-indazol-2-ium;ruthenium(3+);tetrachloride
Molecular Formula	C21H19Cl4N6Ru
Molecular Weight	598.3
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	32
Formal Charge	0
Complexity	206

SMILES

C1=CC=C2C(=C1)C=[NH+]N2.C1=CC=C2C(=C1)C=NN2.C1=CC=C2C(=C1)C=NN2.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3]

InChI

InChI=1S/3C7H6N2.4ClH.Ru/c3*1-2-4-7-6(3-1)5-8-9-7;;;;;/h3*1-5H,(H,8,9);4*1H;/q;;;;;;;+3/p-3

InChIKey

PJXASRBEMZORRI-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 124875-20-3

CID: 133083029

Formula: C21H19Cl4N6Ru

MW: 598.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	598.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	598.943921
Monoisotopic Mass	596.946871
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	206
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	8
Compound Is Canonicalized	Yes

Catalog	Name
HY-19118	KP1019