1-chloroethyl-(2,4-dichlorophenyl)diazene

C8H7Cl3N2 — CID 91379926

IUPAC1-chloroethyl-(2,4-dichlorophenyl)diazene
SMILESCC(Cl)/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2/c1-5(9)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3/b13-12+
InChIKeyDBWXTQMLFVIRDR-OUKQBFOZSA-N
MW237.52 g/mol
LogP4.66
Rot. Bonds2

About 1-chloroethyl-(2,4-dichlorophenyl)diazene

1-chloroethyl-(2,4-dichlorophenyl)diazene (PubChem CID 91379926) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is 1-chloroethyl-(2,4-dichlorophenyl)diazene.

Molecular Properties

Compound Name1-chloroethyl-(2,4-dichlorophenyl)diazene
PubChem CID91379926
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC Name1-chloroethyl-(2,4-dichlorophenyl)diazene
SMILESCC(Cl)/N=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2/c1-5(9)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3/b13-12+
InChIKeyDBWXTQMLFVIRDR-OUKQBFOZSA-N
XLogP4.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 54.66
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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Related Compounds

N'-(2,4-dichlorophenyl)-2-methylpropanimidamide
CID 63174312
4-[(2,4-dichlorophenyl)diazenyl]aniline
CID 23338727
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
ethyl 2-[(5-chloro-2-fluorophenyl)diazenyl]propanoate
CID 90802803
sodium 4-[(2,4-dichlorophenyl)diazenyl]benzenesulfonate
CID 23702673
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
4-chloro-2-[1-[(2,4,6-trichlorophenyl)diazenyl]ethyl]phenol
CID 170920225
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
N-(2,4-dichlorophenyl)-1-(5-methyl-1-propan-2-ylpyrrol-3-yl)methanimine
CID 50856997
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133

Frequently Asked Questions

What is the IUPAC name of 1-chloroethyl-(2,4-dichlorophenyl)diazene?
The IUPAC name of 1-chloroethyl-(2,4-dichlorophenyl)diazene (CID 91379926) is 1-chloroethyl-(2,4-dichlorophenyl)diazene.
What is the SMILES notation for 1-chloroethyl-(2,4-dichlorophenyl)diazene?
The canonical SMILES for 1-chloroethyl-(2,4-dichlorophenyl)diazene is CC(Cl)/N=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-chloroethyl-(2,4-dichlorophenyl)diazene?
The InChIKey is DBWXTQMLFVIRDR-OUKQBFOZSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c1-5(9)12-13-8-3-2-6(10)4-7(8)11/h2-5H,1H3/b13-12+.
What are the key properties of 1-chloroethyl-(2,4-dichlorophenyl)diazene?
1-chloroethyl-(2,4-dichlorophenyl)diazene has a molecular weight of 237.52 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl-(2,4-dichlorophenyl)diazene is sourced from PubChem (CID 91379926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).