2-(hydroxymethyl)benzenediazonium

C7H7N2O+ — CID 12824647

IUPAC2-(hydroxymethyl)benzenediazonium
SMILESN#[N+]c1ccccc1CO
InChIInChI=1S/C7H7N2O/c8-9-7-4-2-1-3-6(7)5-10/h1-4,10H,5H2/q+1
InChIKeyZRVBIUNAZYMCEX-UHFFFAOYSA-N
MW135.15 g/mol
LogP1.66
Rot. Bonds1

About 2-(hydroxymethyl)benzenediazonium

2-(hydroxymethyl)benzenediazonium (PubChem CID 12824647) has the molecular formula C7H7N2O+ and a molecular weight of 135.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)benzenediazonium.

Molecular Properties

Compound Name2-(hydroxymethyl)benzenediazonium
PubChem CID12824647
Molecular FormulaC7H7N2O+
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name2-(hydroxymethyl)benzenediazonium
SMILESN#[N+]c1ccccc1CO
InChIInChI=1S/C7H7N2O/c8-9-7-4-2-1-3-6(7)5-10/h1-4,10H,5H2/q+1
InChIKeyZRVBIUNAZYMCEX-UHFFFAOYSA-N
XLogP1.66
TPSA48.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)benzenediazonium?
The IUPAC name of 2-(hydroxymethyl)benzenediazonium (CID 12824647) is 2-(hydroxymethyl)benzenediazonium.
What is the SMILES notation for 2-(hydroxymethyl)benzenediazonium?
The canonical SMILES for 2-(hydroxymethyl)benzenediazonium is N#[N+]c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)benzenediazonium?
The InChIKey is ZRVBIUNAZYMCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O/c8-9-7-4-2-1-3-6(7)5-10/h1-4,10H,5H2/q+1.
What are the key properties of 2-(hydroxymethyl)benzenediazonium?
2-(hydroxymethyl)benzenediazonium has a molecular weight of 135.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)benzenediazonium is sourced from PubChem (CID 12824647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).