bis(3,4-dichlorophenyl)diazene

C12H6Cl4N2 — CID 26423

IUPACbis(3,4-dichlorophenyl)diazene
SMILESClc1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+
InChIKeySOBGIMQKWDUEPY-ISLYRVAYSA-N
MW320.01 g/mol
LogP6.72
Rot. Bonds2

About bis(3,4-dichlorophenyl)diazene

bis(3,4-dichlorophenyl)diazene (PubChem CID 26423) has the molecular formula C12H6Cl4N2 and a molecular weight of 320.01 g/mol. Its IUPAC name is bis(3,4-dichlorophenyl)diazene.

Molecular Properties

Compound Namebis(3,4-dichlorophenyl)diazene
PubChem CID26423
Molecular FormulaC12H6Cl4N2
Molecular Weight320.01 g/mol
Exact Mass317.93
IUPAC Namebis(3,4-dichlorophenyl)diazene
SMILESClc1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+
InChIKeySOBGIMQKWDUEPY-ISLYRVAYSA-N
XLogP6.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.01
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(3,4-dichlorophenyl)diazene?
The IUPAC name of bis(3,4-dichlorophenyl)diazene (CID 26423) is bis(3,4-dichlorophenyl)diazene.
What is the SMILES notation for bis(3,4-dichlorophenyl)diazene?
The canonical SMILES for bis(3,4-dichlorophenyl)diazene is Clc1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of bis(3,4-dichlorophenyl)diazene?
The InChIKey is SOBGIMQKWDUEPY-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H6Cl4N2/c13-9-3-1-7(5-11(9)15)17-18-8-2-4-10(14)12(16)6-8/h1-6H/b18-17+.
What are the key properties of bis(3,4-dichlorophenyl)diazene?
bis(3,4-dichlorophenyl)diazene has a molecular weight of 320.01 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dichlorophenyl)diazene is sourced from PubChem (CID 26423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).