9,10-dioxoanthracene-1-diazonium chloride

C14H7ClN2O2 — CID 27657

IUPAC9,10-dioxoanthracene-1-diazonium chloride
SMILESN#[N+]c1cccc2c1C(=O)c1ccccc1C2=O.[Cl-]
InChIInChI=1S/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1
InChIKeyQAJMZRMIUJJTBN-UHFFFAOYSA-M
MW270.68 g/mol
LogP-0.05
Rot. Bonds

About 9,10-dioxoanthracene-1-diazonium chloride

9,10-dioxoanthracene-1-diazonium chloride (PubChem CID 27657) has the molecular formula C14H7ClN2O2 and a molecular weight of 270.68 g/mol. Its IUPAC name is 9,10-dioxoanthracene-1-diazonium chloride.

Molecular Properties

Compound Name9,10-dioxoanthracene-1-diazonium chloride
PubChem CID27657
Molecular FormulaC14H7ClN2O2
Molecular Weight270.68 g/mol
Exact Mass270.02
IUPAC Name9,10-dioxoanthracene-1-diazonium chloride
SMILESN#[N+]c1cccc2c1C(=O)c1ccccc1C2=O.[Cl-]
InChIInChI=1S/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1
InChIKeyQAJMZRMIUJJTBN-UHFFFAOYSA-M
XLogP-0.05
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dioxoanthracene-1-diazonium chloride?
The IUPAC name of 9,10-dioxoanthracene-1-diazonium chloride (CID 27657) is 9,10-dioxoanthracene-1-diazonium chloride.
What is the SMILES notation for 9,10-dioxoanthracene-1-diazonium chloride?
The canonical SMILES for 9,10-dioxoanthracene-1-diazonium chloride is N#[N+]c1cccc2c1C(=O)c1ccccc1C2=O.[Cl-].
What is the InChIKey of 9,10-dioxoanthracene-1-diazonium chloride?
The InChIKey is QAJMZRMIUJJTBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1.
What are the key properties of 9,10-dioxoanthracene-1-diazonium chloride?
9,10-dioxoanthracene-1-diazonium chloride has a molecular weight of 270.68 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-1-diazonium chloride is sourced from PubChem (CID 27657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).