chloranium;copper;trinitrate

H2ClCuN3O9 — CID 172682071

IUPACchloranium;copper;trinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Cu+2]
InChIInChI=1S/ClH2.Cu.3NO3/c;;3*2-1(3)4/h1H2;;;;/q+1;+2;3*-1
InChIKeyJJGSBHGNURGIAB-UHFFFAOYSA-N
MW287.03 g/mol
LogP-1.26
Rot. Bonds

About chloranium;copper;trinitrate

chloranium;copper;trinitrate (PubChem CID 172682071) has the molecular formula H2ClCuN3O9 and a molecular weight of 287.03 g/mol. Its IUPAC name is chloranium;copper;trinitrate.

Molecular Properties

Compound Namechloranium;copper;trinitrate
PubChem CID172682071
Molecular FormulaH2ClCuN3O9
Molecular Weight287.03 g/mol
Exact Mass285.88
IUPAC Namechloranium;copper;trinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Cu+2]
InChIInChI=1S/ClH2.Cu.3NO3/c;;3*2-1(3)4/h1H2;;;;/q+1;+2;3*-1
InChIKeyJJGSBHGNURGIAB-UHFFFAOYSA-N
XLogP-1.26
TPSA198.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.03
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloranium;copper;trinitrate?
The IUPAC name of chloranium;copper;trinitrate (CID 172682071) is chloranium;copper;trinitrate.
What is the SMILES notation for chloranium;copper;trinitrate?
The canonical SMILES for chloranium;copper;trinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Cu+2].
What is the InChIKey of chloranium;copper;trinitrate?
The InChIKey is JJGSBHGNURGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2.Cu.3NO3/c;;3*2-1(3)4/h1H2;;;;/q+1;+2;3*-1.
What are the key properties of chloranium;copper;trinitrate?
chloranium;copper;trinitrate has a molecular weight of 287.03 g/mol, XLogP of -1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium;copper;trinitrate is sourced from PubChem (CID 172682071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).