bis(3-chlorophenyl)diazene

C12H8Cl2N2 — CID 27279

IUPACbis(3-chlorophenyl)diazene
SMILESClc1cccc(/N=N/c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H/b16-15+
InChIKeyZAUXEPYLONOZEK-FOCLMDBBSA-N
MW251.12 g/mol
LogP5.41
Rot. Bonds2

About bis(3-chlorophenyl)diazene

bis(3-chlorophenyl)diazene (PubChem CID 27279) has the molecular formula C12H8Cl2N2 and a molecular weight of 251.12 g/mol. Its IUPAC name is bis(3-chlorophenyl)diazene.

Molecular Properties

Compound Namebis(3-chlorophenyl)diazene
PubChem CID27279
Molecular FormulaC12H8Cl2N2
Molecular Weight251.12 g/mol
Exact Mass250.01
IUPAC Namebis(3-chlorophenyl)diazene
SMILESClc1cccc(/N=N/c2cccc(Cl)c2)c1
InChIInChI=1S/C12H8Cl2N2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H/b16-15+
InChIKeyZAUXEPYLONOZEK-FOCLMDBBSA-N
XLogP5.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.12
LogP ≤ 55.41
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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Related Compounds

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Tcab
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CID 67336
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CID 260947
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CID 83576
2,6-Dichloro-4-[(e)-phenyldiazenyl]aniline
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1-(4-Chlorophenyl)-2-phenyldiazene
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Frequently Asked Questions

What is the IUPAC name of bis(3-chlorophenyl)diazene?
The IUPAC name of bis(3-chlorophenyl)diazene (CID 27279) is bis(3-chlorophenyl)diazene.
What is the SMILES notation for bis(3-chlorophenyl)diazene?
The canonical SMILES for bis(3-chlorophenyl)diazene is Clc1cccc(/N=N/c2cccc(Cl)c2)c1.
What is the InChIKey of bis(3-chlorophenyl)diazene?
The InChIKey is ZAUXEPYLONOZEK-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8Cl2N2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H/b16-15+.
What are the key properties of bis(3-chlorophenyl)diazene?
bis(3-chlorophenyl)diazene has a molecular weight of 251.12 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorophenyl)diazene is sourced from PubChem (CID 27279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).