dichlorocopper;hydrogen peroxide;1,10-phenanthroline

C12H10Cl2CuN2O2 — CID 158916437

IUPACdichlorocopper;hydrogen peroxide;1,10-phenanthroline
SMILESCl[Cu]Cl.OO.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2ClH.Cu.H2O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;1-2/h1-8H;2*1H;;1-2H/q;;;+2;/p-2
InChIKeyJHHCCHQUSVRZTF-UHFFFAOYSA-L
MW348.68 g/mol
LogP4.18
Rot. Bonds

About dichlorocopper;hydrogen peroxide;1,10-phenanthroline

dichlorocopper;hydrogen peroxide;1,10-phenanthroline (PubChem CID 158916437) has the molecular formula C12H10Cl2CuN2O2 and a molecular weight of 348.68 g/mol. Its IUPAC name is dichlorocopper;hydrogen peroxide;1,10-phenanthroline.

Molecular Properties

Compound Namedichlorocopper;hydrogen peroxide;1,10-phenanthroline
PubChem CID158916437
Molecular FormulaC12H10Cl2CuN2O2
Molecular Weight348.68 g/mol
Exact Mass346.94
IUPAC Namedichlorocopper;hydrogen peroxide;1,10-phenanthroline
SMILESCl[Cu]Cl.OO.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2ClH.Cu.H2O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;1-2/h1-8H;2*1H;;1-2H/q;;;+2;/p-2
InChIKeyJHHCCHQUSVRZTF-UHFFFAOYSA-L
XLogP4.18
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.68
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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iridium(3+);1,10-phenanthroline
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europium;1,10-phenanthroline
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CID 15001085
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dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
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acetic acid;palladium;bis(1,10-phenanthroline)
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Frequently Asked Questions

What is the IUPAC name of dichlorocopper;hydrogen peroxide;1,10-phenanthroline?
The IUPAC name of dichlorocopper;hydrogen peroxide;1,10-phenanthroline (CID 158916437) is dichlorocopper;hydrogen peroxide;1,10-phenanthroline.
What is the SMILES notation for dichlorocopper;hydrogen peroxide;1,10-phenanthroline?
The canonical SMILES for dichlorocopper;hydrogen peroxide;1,10-phenanthroline is Cl[Cu]Cl.OO.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dichlorocopper;hydrogen peroxide;1,10-phenanthroline?
The InChIKey is JHHCCHQUSVRZTF-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2ClH.Cu.H2O2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;;1-2/h1-8H;2*1H;;1-2H/q;;;+2;/p-2.
What are the key properties of dichlorocopper;hydrogen peroxide;1,10-phenanthroline?
dichlorocopper;hydrogen peroxide;1,10-phenanthroline has a molecular weight of 348.68 g/mol, XLogP of 4.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;hydrogen peroxide;1,10-phenanthroline is sourced from PubChem (CID 158916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).