sodium;benzoate;mercury(2+);chloride

C7H4ClHgNaO2 — CID 54724546

IUPACsodium;benzoate;mercury(2+);chloride
SMILESO=C([O-])c1cc[c-]cc1.[Cl-].[Hg+2].[Na+]
InChIInChI=1S/C7H5O2.ClH.Hg.Na/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);1H;;/q-1;;+2;+1/p-2
InChIKeyDXORBXDAUSENCI-UHFFFAOYSA-L
MW379.14 g/mol
LogP-6.14
Rot. Bonds1

About sodium;benzoate;mercury(2+);chloride

sodium;benzoate;mercury(2+);chloride (PubChem CID 54724546) has the molecular formula C7H4ClHgNaO2 and a molecular weight of 379.14 g/mol. Its IUPAC name is sodium;benzoate;mercury(2+);chloride.

Molecular Properties

Compound Namesodium;benzoate;mercury(2+);chloride
PubChem CID54724546
Molecular FormulaC7H4ClHgNaO2
Molecular Weight379.14 g/mol
Exact Mass379.95
IUPAC Namesodium;benzoate;mercury(2+);chloride
SMILESO=C([O-])c1cc[c-]cc1.[Cl-].[Hg+2].[Na+]
InChIInChI=1S/C7H5O2.ClH.Hg.Na/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);1H;;/q-1;;+2;+1/p-2
InChIKeyDXORBXDAUSENCI-UHFFFAOYSA-L
XLogP-6.14
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 5-6.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;benzoate;mercury(2+);chloride?
The IUPAC name of sodium;benzoate;mercury(2+);chloride (CID 54724546) is sodium;benzoate;mercury(2+);chloride.
What is the SMILES notation for sodium;benzoate;mercury(2+);chloride?
The canonical SMILES for sodium;benzoate;mercury(2+);chloride is O=C([O-])c1cc[c-]cc1.[Cl-].[Hg+2].[Na+].
What is the InChIKey of sodium;benzoate;mercury(2+);chloride?
The InChIKey is DXORBXDAUSENCI-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5O2.ClH.Hg.Na/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);1H;;/q-1;;+2;+1/p-2.
What are the key properties of sodium;benzoate;mercury(2+);chloride?
sodium;benzoate;mercury(2+);chloride has a molecular weight of 379.14 g/mol, XLogP of -6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzoate;mercury(2+);chloride is sourced from PubChem (CID 54724546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).