bis[(4-chloroanilino)oxy]-oxoazanium

C12H10Cl2N3O3+ — CID 87988113

IUPACbis[(4-chloroanilino)oxy]-oxoazanium
SMILESO=[N+](ONc1ccc(Cl)cc1)ONc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N3O3/c13-9-1-5-11(6-2-9)15-19-17(18)20-16-12-7-3-10(14)4-8-12/h1-8,15-16H/q+1
InChIKeyGIVWHIYRCLZFPO-UHFFFAOYSA-N
MW315.14 g/mol
LogP3.99
Rot. Bonds6

About bis[(4-chloroanilino)oxy]-oxoazanium

bis[(4-chloroanilino)oxy]-oxoazanium (PubChem CID 87988113) has the molecular formula C12H10Cl2N3O3+ and a molecular weight of 315.14 g/mol. Its IUPAC name is bis[(4-chloroanilino)oxy]-oxoazanium.

Molecular Properties

Compound Namebis[(4-chloroanilino)oxy]-oxoazanium
PubChem CID87988113
Molecular FormulaC12H10Cl2N3O3+
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Namebis[(4-chloroanilino)oxy]-oxoazanium
SMILESO=[N+](ONc1ccc(Cl)cc1)ONc1ccc(Cl)cc1
InChIInChI=1S/C12H10Cl2N3O3/c13-9-1-5-11(6-2-9)15-19-17(18)20-16-12-7-3-10(14)4-8-12/h1-8,15-16H/q+1
InChIKeyGIVWHIYRCLZFPO-UHFFFAOYSA-N
XLogP3.99
TPSA62.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(4-chloroanilino)oxy]-oxoazanium?
The IUPAC name of bis[(4-chloroanilino)oxy]-oxoazanium (CID 87988113) is bis[(4-chloroanilino)oxy]-oxoazanium.
What is the SMILES notation for bis[(4-chloroanilino)oxy]-oxoazanium?
The canonical SMILES for bis[(4-chloroanilino)oxy]-oxoazanium is O=[N+](ONc1ccc(Cl)cc1)ONc1ccc(Cl)cc1.
What is the InChIKey of bis[(4-chloroanilino)oxy]-oxoazanium?
The InChIKey is GIVWHIYRCLZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N3O3/c13-9-1-5-11(6-2-9)15-19-17(18)20-16-12-7-3-10(14)4-8-12/h1-8,15-16H/q+1.
What are the key properties of bis[(4-chloroanilino)oxy]-oxoazanium?
bis[(4-chloroanilino)oxy]-oxoazanium has a molecular weight of 315.14 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-chloroanilino)oxy]-oxoazanium is sourced from PubChem (CID 87988113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).