(4-bromophenyl)-(2-methylphenyl)diazene

C13H11BrN2 — CID 563794

IUPAC(4-bromophenyl)-(2-methylphenyl)diazene
SMILESCc1ccccc1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2/c1-10-4-2-3-5-13(10)16-15-12-8-6-11(14)7-9-12/h2-9H,1H3/b16-15+
InChIKeyRSYCFCVOVWDJLC-FOCLMDBBSA-N
MW275.15 g/mol
LogP5.17
Rot. Bonds2

About (4-bromophenyl)-(2-methylphenyl)diazene

(4-bromophenyl)-(2-methylphenyl)diazene (PubChem CID 563794) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methylphenyl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methylphenyl)diazene
PubChem CID563794
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name(4-bromophenyl)-(2-methylphenyl)diazene
SMILESCc1ccccc1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2/c1-10-4-2-3-5-13(10)16-15-12-8-6-11(14)7-9-12/h2-9H,1H3/b16-15+
InChIKeyRSYCFCVOVWDJLC-FOCLMDBBSA-N
XLogP5.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.15
LogP ≤ 55.17
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-bromophenyl)-(2-methylphenyl)diazene?
The IUPAC name of (4-bromophenyl)-(2-methylphenyl)diazene (CID 563794) is (4-bromophenyl)-(2-methylphenyl)diazene.
What is the SMILES notation for (4-bromophenyl)-(2-methylphenyl)diazene?
The canonical SMILES for (4-bromophenyl)-(2-methylphenyl)diazene is Cc1ccccc1/N=N/c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methylphenyl)diazene?
The InChIKey is RSYCFCVOVWDJLC-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11BrN2/c1-10-4-2-3-5-13(10)16-15-12-8-6-11(14)7-9-12/h2-9H,1H3/b16-15+.
What are the key properties of (4-bromophenyl)-(2-methylphenyl)diazene?
(4-bromophenyl)-(2-methylphenyl)diazene has a molecular weight of 275.15 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methylphenyl)diazene is sourced from PubChem (CID 563794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).