zinc;4-aminobenzenediazonium;trichloride

C6H6Cl3N3Zn — CID 173419318

IUPACzinc;4-aminobenzenediazonium;trichloride
SMILESN#[N+]c1ccc(N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C6H6N3.3ClH.Zn/c7-5-1-3-6(9-8)4-2-5;;;;/h1-4H,7H2;3*1H;/q+1;;;;+2/p-3
InChIKeyPOHLYFKJJZAOFB-UHFFFAOYSA-K
MW291.88 g/mol
LogP-7.24
Rot. Bonds

About zinc;4-aminobenzenediazonium;trichloride

zinc;4-aminobenzenediazonium;trichloride (PubChem CID 173419318) has the molecular formula C6H6Cl3N3Zn and a molecular weight of 291.88 g/mol. Its IUPAC name is zinc;4-aminobenzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;4-aminobenzenediazonium;trichloride
PubChem CID173419318
Molecular FormulaC6H6Cl3N3Zn
Molecular Weight291.88 g/mol
Exact Mass288.89
IUPAC Namezinc;4-aminobenzenediazonium;trichloride
SMILESN#[N+]c1ccc(N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C6H6N3.3ClH.Zn/c7-5-1-3-6(9-8)4-2-5;;;;/h1-4H,7H2;3*1H;/q+1;;;;+2/p-3
InChIKeyPOHLYFKJJZAOFB-UHFFFAOYSA-K
XLogP-7.24
TPSA54.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.88
LogP ≤ 5-7.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;4-aminobenzenediazonium;trichloride?
The IUPAC name of zinc;4-aminobenzenediazonium;trichloride (CID 173419318) is zinc;4-aminobenzenediazonium;trichloride.
What is the SMILES notation for zinc;4-aminobenzenediazonium;trichloride?
The canonical SMILES for zinc;4-aminobenzenediazonium;trichloride is N#[N+]c1ccc(N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-aminobenzenediazonium;trichloride?
The InChIKey is POHLYFKJJZAOFB-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H6N3.3ClH.Zn/c7-5-1-3-6(9-8)4-2-5;;;;/h1-4H,7H2;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;4-aminobenzenediazonium;trichloride?
zinc;4-aminobenzenediazonium;trichloride has a molecular weight of 291.88 g/mol, XLogP of -7.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-aminobenzenediazonium;trichloride is sourced from PubChem (CID 173419318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).