thorium;2,4,6-trinitrophenol

C6H3N3O7Th — CID 88723018

IUPACthorium;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Th]
InChIInChI=1S/C6H3N3O7.Th/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyROSHPOZPPARMDP-UHFFFAOYSA-N
MW461.14 g/mol
LogP1.12
Rot. Bonds3

About thorium;2,4,6-trinitrophenol

thorium;2,4,6-trinitrophenol (PubChem CID 88723018) has the molecular formula C6H3N3O7Th and a molecular weight of 461.14 g/mol. Its IUPAC name is thorium;2,4,6-trinitrophenol.

Molecular Properties

Compound Namethorium;2,4,6-trinitrophenol
PubChem CID88723018
Molecular FormulaC6H3N3O7Th
Molecular Weight461.14 g/mol
Exact Mass461.04
IUPAC Namethorium;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Th]
InChIInChI=1S/C6H3N3O7.Th/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyROSHPOZPPARMDP-UHFFFAOYSA-N
XLogP1.12
TPSA149.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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titanium;2,4,6-trinitrophenol
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alumane;2,4,6-trinitrophenol;hydrate
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CID 11873
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sodium;hydride;2-methyl-4,6-dinitrophenol
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1,8-diazabicyclo[6.4.3]pentadecane;2,4,6-trinitrophenol
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Frequently Asked Questions

What is the IUPAC name of thorium;2,4,6-trinitrophenol?
The IUPAC name of thorium;2,4,6-trinitrophenol (CID 88723018) is thorium;2,4,6-trinitrophenol.
What is the SMILES notation for thorium;2,4,6-trinitrophenol?
The canonical SMILES for thorium;2,4,6-trinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Th].
What is the InChIKey of thorium;2,4,6-trinitrophenol?
The InChIKey is ROSHPOZPPARMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O7.Th/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;.
What are the key properties of thorium;2,4,6-trinitrophenol?
thorium;2,4,6-trinitrophenol has a molecular weight of 461.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for thorium;2,4,6-trinitrophenol is sourced from PubChem (CID 88723018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).