4-formylbenzenediazonium

C7H5N2O+ — CID 12918663

IUPAC4-formylbenzenediazonium
SMILESN#[N+]c1ccc(C=O)cc1
InChIInChI=1S/C7H5N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-5H/q+1
InChIKeyWPNZCFMIGPCUJA-UHFFFAOYSA-N
MW133.13 g/mol
LogP1.98
Rot. Bonds1

About 4-formylbenzenediazonium

4-formylbenzenediazonium (PubChem CID 12918663) has the molecular formula C7H5N2O+ and a molecular weight of 133.13 g/mol. Its IUPAC name is 4-formylbenzenediazonium.

Molecular Properties

Compound Name4-formylbenzenediazonium
PubChem CID12918663
Molecular FormulaC7H5N2O+
Molecular Weight133.13 g/mol
Exact Mass133.04
IUPAC Name4-formylbenzenediazonium
SMILESN#[N+]c1ccc(C=O)cc1
InChIInChI=1S/C7H5N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-5H/q+1
InChIKeyWPNZCFMIGPCUJA-UHFFFAOYSA-N
XLogP1.98
TPSA45.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-formylbenzenediazonium?
The IUPAC name of 4-formylbenzenediazonium (CID 12918663) is 4-formylbenzenediazonium.
What is the SMILES notation for 4-formylbenzenediazonium?
The canonical SMILES for 4-formylbenzenediazonium is N#[N+]c1ccc(C=O)cc1.
What is the InChIKey of 4-formylbenzenediazonium?
The InChIKey is WPNZCFMIGPCUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-5H/q+1.
What are the key properties of 4-formylbenzenediazonium?
4-formylbenzenediazonium has a molecular weight of 133.13 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formylbenzenediazonium is sourced from PubChem (CID 12918663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).