nitric acid;bis(phenylmercury(1+));hydrate

C12H13Hg2NO4+2 — CID 170920407

IUPACnitric acid;bis(phenylmercury(1+));hydrate
SMILESO.O=[N+]([O-])O.[Hg+]c1ccccc1.[Hg+]c1ccccc1
InChIInChI=1S/2C6H5.2Hg.HNO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;(H,2,3,4);1H2/q;;2*+1;;
InChIKeyUAOHTLXSSVLDSA-UHFFFAOYSA-N
MW636.42 g/mol
LogP0.55
Rot. Bonds

About nitric acid;bis(phenylmercury(1+));hydrate

nitric acid;bis(phenylmercury(1+));hydrate (PubChem CID 170920407) has the molecular formula C12H13Hg2NO4+2 and a molecular weight of 636.42 g/mol. Its IUPAC name is nitric acid;bis(phenylmercury(1+));hydrate.

Molecular Properties

Compound Namenitric acid;bis(phenylmercury(1+));hydrate
PubChem CID170920407
Molecular FormulaC12H13Hg2NO4+2
Molecular Weight636.42 g/mol
Exact Mass639.02
IUPAC Namenitric acid;bis(phenylmercury(1+));hydrate
SMILESO.O=[N+]([O-])O.[Hg+]c1ccccc1.[Hg+]c1ccccc1
InChIInChI=1S/2C6H5.2Hg.HNO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;(H,2,3,4);1H2/q;;2*+1;;
InChIKeyUAOHTLXSSVLDSA-UHFFFAOYSA-N
XLogP0.55
TPSA94.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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CID 6330575
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phenylmercury;phenylmercury(1+);sulfanide
CID 30115
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Frequently Asked Questions

What is the IUPAC name of nitric acid;bis(phenylmercury(1+));hydrate?
The IUPAC name of nitric acid;bis(phenylmercury(1+));hydrate (CID 170920407) is nitric acid;bis(phenylmercury(1+));hydrate.
What is the SMILES notation for nitric acid;bis(phenylmercury(1+));hydrate?
The canonical SMILES for nitric acid;bis(phenylmercury(1+));hydrate is O.O=[N+]([O-])O.[Hg+]c1ccccc1.[Hg+]c1ccccc1.
What is the InChIKey of nitric acid;bis(phenylmercury(1+));hydrate?
The InChIKey is UAOHTLXSSVLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2Hg.HNO3.H2O/c2*1-2-4-6-5-3-1;;;2-1(3)4;/h2*1-5H;;;(H,2,3,4);1H2/q;;2*+1;;.
What are the key properties of nitric acid;bis(phenylmercury(1+));hydrate?
nitric acid;bis(phenylmercury(1+));hydrate has a molecular weight of 636.42 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;bis(phenylmercury(1+));hydrate is sourced from PubChem (CID 170920407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).