4-chloro-2-ethylbenzenediazonium

C8H8ClN2+ — CID 88574600

IUPAC4-chloro-2-ethylbenzenediazonium
SMILESCCc1cc(Cl)ccc1[N+]#N
InChIInChI=1S/C8H8ClN2/c1-2-6-5-7(9)3-4-8(6)11-10/h3-5H,2H2,1H3/q+1
InChIKeyQCQCQIPFUYXFMN-UHFFFAOYSA-N
MW167.62 g/mol
LogP3.39
Rot. Bonds1

About 4-chloro-2-ethylbenzenediazonium

4-chloro-2-ethylbenzenediazonium (PubChem CID 88574600) has the molecular formula C8H8ClN2+ and a molecular weight of 167.62 g/mol. Its IUPAC name is 4-chloro-2-ethylbenzenediazonium.

Molecular Properties

Compound Name4-chloro-2-ethylbenzenediazonium
PubChem CID88574600
Molecular FormulaC8H8ClN2+
Molecular Weight167.62 g/mol
Exact Mass167.04
IUPAC Name4-chloro-2-ethylbenzenediazonium
SMILESCCc1cc(Cl)ccc1[N+]#N
InChIInChI=1S/C8H8ClN2/c1-2-6-5-7(9)3-4-8(6)11-10/h3-5H,2H2,1H3/q+1
InChIKeyQCQCQIPFUYXFMN-UHFFFAOYSA-N
XLogP3.39
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.62
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dichlorobenzenediazonium;trichloroiron;chloride
CID 139974846
4-chloro-2-ethyl-1-pent-1-en-2-ylbenzene
CID 166154173
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
4-chloro-1-(3-chloropentan-3-yl)-2-ethylbenzene
CID 141150253
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
2,4-dichlorobenzenediazonium hexafluorophosphate
CID 18471224
4-chloro-2,6-diethylaniline
CID 14348967
4-chloro-1-ethyl-2-iodobenzene
CID 68984613
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
(4-chloro-2-methylsulfinylphenyl)methanamine
CID 68917399
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylbenzenediazonium?
The IUPAC name of 4-chloro-2-ethylbenzenediazonium (CID 88574600) is 4-chloro-2-ethylbenzenediazonium.
What is the SMILES notation for 4-chloro-2-ethylbenzenediazonium?
The canonical SMILES for 4-chloro-2-ethylbenzenediazonium is CCc1cc(Cl)ccc1[N+]#N.
What is the InChIKey of 4-chloro-2-ethylbenzenediazonium?
The InChIKey is QCQCQIPFUYXFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN2/c1-2-6-5-7(9)3-4-8(6)11-10/h3-5H,2H2,1H3/q+1.
What are the key properties of 4-chloro-2-ethylbenzenediazonium?
4-chloro-2-ethylbenzenediazonium has a molecular weight of 167.62 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylbenzenediazonium is sourced from PubChem (CID 88574600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).