[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene

C13H8Cl4N2 — CID 54512887

IUPAC[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene
SMILESClc1cc(Cl)c(/N=N/C(Cl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,13H/b19-18+
InChIKeyYKJSKQLEJIALFM-VHEBQXMUSA-N
MW334.03 g/mol
LogP6.67
Rot. Bonds3

About [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene

[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene (PubChem CID 54512887) has the molecular formula C13H8Cl4N2 and a molecular weight of 334.03 g/mol. Its IUPAC name is [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene.

Molecular Properties

Compound Name[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene
PubChem CID54512887
Molecular FormulaC13H8Cl4N2
Molecular Weight334.03 g/mol
Exact Mass331.94
IUPAC Name[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene
SMILESClc1cc(Cl)c(/N=N/C(Cl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,13H/b19-18+
InChIKeyYKJSKQLEJIALFM-VHEBQXMUSA-N
XLogP6.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.03
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene?
The IUPAC name of [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene (CID 54512887) is [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene.
What is the SMILES notation for [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene?
The canonical SMILES for [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene is Clc1cc(Cl)c(/N=N/C(Cl)c2ccccc2)c(Cl)c1.
What is the InChIKey of [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene?
The InChIKey is YKJSKQLEJIALFM-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,13H/b19-18+.
What are the key properties of [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene?
[chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene has a molecular weight of 334.03 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)methyl]-(2,4,6-trichlorophenyl)diazene is sourced from PubChem (CID 54512887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).