2-bromopropan-2-yl-(4-chlorophenyl)diazene

C9H10BrClN2 — CID 13498127

IUPAC2-bromopropan-2-yl-(4-chlorophenyl)diazene
SMILESCC(C)(Br)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H10BrClN2/c1-9(2,10)13-12-8-5-3-7(11)4-6-8/h3-6H,1-2H3/b13-12+
InChIKeyAWHRANRFZGOMTC-OUKQBFOZSA-N
MW261.55 g/mol
LogP4.55
Rot. Bonds2

About 2-bromopropan-2-yl-(4-chlorophenyl)diazene

2-bromopropan-2-yl-(4-chlorophenyl)diazene (PubChem CID 13498127) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 2-bromopropan-2-yl-(4-chlorophenyl)diazene.

Molecular Properties

Compound Name2-bromopropan-2-yl-(4-chlorophenyl)diazene
PubChem CID13498127
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name2-bromopropan-2-yl-(4-chlorophenyl)diazene
SMILESCC(C)(Br)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H10BrClN2/c1-9(2,10)13-12-8-5-3-7(11)4-6-8/h3-6H,1-2H3/b13-12+
InChIKeyAWHRANRFZGOMTC-OUKQBFOZSA-N
XLogP4.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromopropan-2-yl-(4-chlorophenyl)diazene?
The IUPAC name of 2-bromopropan-2-yl-(4-chlorophenyl)diazene (CID 13498127) is 2-bromopropan-2-yl-(4-chlorophenyl)diazene.
What is the SMILES notation for 2-bromopropan-2-yl-(4-chlorophenyl)diazene?
The canonical SMILES for 2-bromopropan-2-yl-(4-chlorophenyl)diazene is CC(C)(Br)/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-bromopropan-2-yl-(4-chlorophenyl)diazene?
The InChIKey is AWHRANRFZGOMTC-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-9(2,10)13-12-8-5-3-7(11)4-6-8/h3-6H,1-2H3/b13-12+.
What are the key properties of 2-bromopropan-2-yl-(4-chlorophenyl)diazene?
2-bromopropan-2-yl-(4-chlorophenyl)diazene has a molecular weight of 261.55 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropan-2-yl-(4-chlorophenyl)diazene is sourced from PubChem (CID 13498127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).