(4-chlorophenyl)-phenyldiazene

C12H9ClN2 — CID 20349

IUPAC(4-chlorophenyl)-phenyldiazene
SMILESClc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H9ClN2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H/b15-14+
InChIKeyNJFDMENHTAYHMA-CCEZHUSRSA-N
MW216.67 g/mol
LogP4.76
Rot. Bonds2

About (4-chlorophenyl)-phenyldiazene

(4-chlorophenyl)-phenyldiazene (PubChem CID 20349) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is (4-chlorophenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-chlorophenyl)-phenyldiazene
PubChem CID20349
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name(4-chlorophenyl)-phenyldiazene
SMILESClc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H9ClN2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H/b15-14+
InChIKeyNJFDMENHTAYHMA-CCEZHUSRSA-N
XLogP4.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 54.76
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 (4-chlorophenyl)-phenyldiazene?
The IUPAC name of (4-chlorophenyl)-phenyldiazene (CID 20349) is (4-chlorophenyl)-phenyldiazene.
What is the SMILES notation for (4-chlorophenyl)-phenyldiazene?
The canonical SMILES for (4-chlorophenyl)-phenyldiazene is Clc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-phenyldiazene?
The InChIKey is NJFDMENHTAYHMA-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9ClN2/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H/b15-14+.
What are the key properties of (4-chlorophenyl)-phenyldiazene?
(4-chlorophenyl)-phenyldiazene has a molecular weight of 216.67 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenyldiazene is sourced from PubChem (CID 20349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).