bis(2-chlorophenyl)diazene

C12H8Cl2N2 — CID 23750

IUPACbis(2-chlorophenyl)diazene
SMILESClc1ccccc1/N=N/c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H/b16-15+
InChIKeyFIQUJBRQBIUISO-FOCLMDBBSA-N
MW251.12 g/mol
LogP5.41
Rot. Bonds2

About bis(2-chlorophenyl)diazene

bis(2-chlorophenyl)diazene (PubChem CID 23750) has the molecular formula C12H8Cl2N2 and a molecular weight of 251.12 g/mol. Its IUPAC name is bis(2-chlorophenyl)diazene.

Molecular Properties

Compound Namebis(2-chlorophenyl)diazene
PubChem CID23750
Molecular FormulaC12H8Cl2N2
Molecular Weight251.12 g/mol
Exact Mass250.01
IUPAC Namebis(2-chlorophenyl)diazene
SMILESClc1ccccc1/N=N/c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H/b16-15+
InChIKeyFIQUJBRQBIUISO-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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Frequently Asked Questions

What is the IUPAC name of bis(2-chlorophenyl)diazene?
The IUPAC name of bis(2-chlorophenyl)diazene (CID 23750) is bis(2-chlorophenyl)diazene.
What is the SMILES notation for bis(2-chlorophenyl)diazene?
The canonical SMILES for bis(2-chlorophenyl)diazene is Clc1ccccc1/N=N/c1ccccc1Cl.
What is the InChIKey of bis(2-chlorophenyl)diazene?
The InChIKey is FIQUJBRQBIUISO-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H/b16-15+.
What are the key properties of bis(2-chlorophenyl)diazene?
bis(2-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(2-chlorophenyl)diazene is sourced from PubChem (CID 23750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).