(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)

C4H6Cl7N2Sb — CID 134995385

IUPAC(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)
SMILESCC/C(Cl)=C\[N+]#N.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C4H6ClN2.6ClH.Sb/c1-2-4(5)3-7-6;;;;;;;/h3H,2H2,1H3;6*1H;/q+1;;;;;;;+5/p-6/b4-3+;;;;;;;
InChIKeyQYDCOLJELBUNKN-JLTWRGFHSA-H
MW452.04 g/mol
LogP6.09
Rot. Bonds1

About (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)

(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) (PubChem CID 134995385) has the molecular formula C4H6Cl7N2Sb and a molecular weight of 452.04 g/mol. Its IUPAC name is (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-).

Molecular Properties

Compound Name(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)
PubChem CID134995385
Molecular FormulaC4H6Cl7N2Sb
Molecular Weight452.04 g/mol
Exact Mass447.74
IUPAC Name(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)
SMILESCC/C(Cl)=C\[N+]#N.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C4H6ClN2.6ClH.Sb/c1-2-4(5)3-7-6;;;;;;;/h3H,2H2,1H3;6*1H;/q+1;;;;;;;+5/p-6/b4-3+;;;;;;;
InChIKeyQYDCOLJELBUNKN-JLTWRGFHSA-H
XLogP6.09
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.04
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)?
The IUPAC name of (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) (CID 134995385) is (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-).
What is the SMILES notation for (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)?
The canonical SMILES for (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) is CC/C(Cl)=C\[N+]#N.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)?
The InChIKey is QYDCOLJELBUNKN-JLTWRGFHSA-H. The full InChI is InChI=1S/C4H6ClN2.6ClH.Sb/c1-2-4(5)3-7-6;;;;;;;/h3H,2H2,1H3;6*1H;/q+1;;;;;;;+5/p-6/b4-3+;;;;;;;.
What are the key properties of (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-)?
(E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) has a molecular weight of 452.04 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chlorobut-1-ene-1-diazonium;hexachloroantimony(1-) is sourced from PubChem (CID 134995385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).