chloranium;sodium;dinitrate

H2ClN2NaO6 — CID 161429645

IUPACchloranium;sodium;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Na+]
InChIInChI=1S/ClH2.2NO3.Na/c;2*2-1(3)4;/h1H2;;;/q+1;2*-1;+1
InChIKeyZRECCENIWGVAFI-UHFFFAOYSA-N
MW184.47 g/mol
LogP-4.01
Rot. Bonds

About chloranium;sodium;dinitrate

chloranium;sodium;dinitrate (PubChem CID 161429645) has the molecular formula H2ClN2NaO6 and a molecular weight of 184.47 g/mol. Its IUPAC name is chloranium;sodium;dinitrate.

Molecular Properties

Compound Namechloranium;sodium;dinitrate
PubChem CID161429645
Molecular FormulaH2ClN2NaO6
Molecular Weight184.47 g/mol
Exact Mass183.95
IUPAC Namechloranium;sodium;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Na+]
InChIInChI=1S/ClH2.2NO3.Na/c;2*2-1(3)4;/h1H2;;;/q+1;2*-1;+1
InChIKeyZRECCENIWGVAFI-UHFFFAOYSA-N
XLogP-4.01
TPSA132.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.47
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of chloranium;sodium;dinitrate?
The IUPAC name of chloranium;sodium;dinitrate (CID 161429645) is chloranium;sodium;dinitrate.
What is the SMILES notation for chloranium;sodium;dinitrate?
The canonical SMILES for chloranium;sodium;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[ClH2+].[Na+].
What is the InChIKey of chloranium;sodium;dinitrate?
The InChIKey is ZRECCENIWGVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2.2NO3.Na/c;2*2-1(3)4;/h1H2;;;/q+1;2*-1;+1.
What are the key properties of chloranium;sodium;dinitrate?
chloranium;sodium;dinitrate has a molecular weight of 184.47 g/mol, XLogP of -4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium;sodium;dinitrate is sourced from PubChem (CID 161429645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).