benzene;ruthenium;1,2,3,4-tetrachlorobenzene

C12H8Cl4Ru2 — CID 173000636

IUPACbenzene;ruthenium;1,2,3,4-tetrachlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1Cl.[Ru].[Ru].c1ccccc1
InChIInChI=1S/C6H2Cl4.C6H6.2Ru/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-6-5-3-1;;/h1-2H;1-6H;;
InChIKeyUDKYUKABOTUERC-UHFFFAOYSA-N
MW496.15 g/mol
LogP5.98
Rot. Bonds

About benzene;ruthenium;1,2,3,4-tetrachlorobenzene

benzene;ruthenium;1,2,3,4-tetrachlorobenzene (PubChem CID 173000636) has the molecular formula C12H8Cl4Ru2 and a molecular weight of 496.15 g/mol. Its IUPAC name is benzene;ruthenium;1,2,3,4-tetrachlorobenzene.

Molecular Properties

Compound Namebenzene;ruthenium;1,2,3,4-tetrachlorobenzene
PubChem CID173000636
Molecular FormulaC12H8Cl4Ru2
Molecular Weight496.15 g/mol
Exact Mass495.75
IUPAC Namebenzene;ruthenium;1,2,3,4-tetrachlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1Cl.[Ru].[Ru].c1ccccc1
InChIInChI=1S/C6H2Cl4.C6H6.2Ru/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-6-5-3-1;;/h1-2H;1-6H;;
InChIKeyUDKYUKABOTUERC-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.15
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;ruthenium;1,2,3,4-tetrachlorobenzene?
The IUPAC name of benzene;ruthenium;1,2,3,4-tetrachlorobenzene (CID 173000636) is benzene;ruthenium;1,2,3,4-tetrachlorobenzene.
What is the SMILES notation for benzene;ruthenium;1,2,3,4-tetrachlorobenzene?
The canonical SMILES for benzene;ruthenium;1,2,3,4-tetrachlorobenzene is Clc1ccc(Cl)c(Cl)c1Cl.[Ru].[Ru].c1ccccc1.
What is the InChIKey of benzene;ruthenium;1,2,3,4-tetrachlorobenzene?
The InChIKey is UDKYUKABOTUERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4.C6H6.2Ru/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-6-5-3-1;;/h1-2H;1-6H;;.
What are the key properties of benzene;ruthenium;1,2,3,4-tetrachlorobenzene?
benzene;ruthenium;1,2,3,4-tetrachlorobenzene has a molecular weight of 496.15 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ruthenium;1,2,3,4-tetrachlorobenzene is sourced from PubChem (CID 173000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).