2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid

C8H5Cl3N2O2 — CID 21455789

IUPAC2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid
SMILESO=C(O)C/N=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3N2O2/c9-4-1-5(10)8(6(11)2-4)13-12-3-7(14)15/h1-2H,3H2,(H,14,15)/b13-12+
InChIKeyLZOHSZLFAUAWDV-OUKQBFOZSA-N
MW267.50 g/mol
LogP3.82
Rot. Bonds3

About 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid

2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid (PubChem CID 21455789) has the molecular formula C8H5Cl3N2O2 and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid.

Molecular Properties

Compound Name2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid
PubChem CID21455789
Molecular FormulaC8H5Cl3N2O2
Molecular Weight267.50 g/mol
Exact Mass265.94
IUPAC Name2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid
SMILESO=C(O)C/N=N/c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3N2O2/c9-4-1-5(10)8(6(11)2-4)13-12-3-7(14)15/h1-2H,3H2,(H,14,15)/b13-12+
InChIKeyLZOHSZLFAUAWDV-OUKQBFOZSA-N
XLogP3.82
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid?
The IUPAC name of 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid (CID 21455789) is 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid.
What is the SMILES notation for 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid?
The canonical SMILES for 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid is O=C(O)C/N=N/c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid?
The InChIKey is LZOHSZLFAUAWDV-OUKQBFOZSA-N. The full InChI is InChI=1S/C8H5Cl3N2O2/c9-4-1-5(10)8(6(11)2-4)13-12-3-7(14)15/h1-2H,3H2,(H,14,15)/b13-12+.
What are the key properties of 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid?
2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid has a molecular weight of 267.50 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trichlorophenyl)diazenyl]acetic acid is sourced from PubChem (CID 21455789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).