bis((Z)-3-chlorobut-2-enoate);mercury(2+)

C8H8Cl2HgO4 — CID 22603930

IUPACbis((Z)-3-chlorobut-2-enoate);mercury(2+)
SMILESC/C(Cl)=C/C(=O)[O-].C/C(Cl)=C/C(=O)[O-].[Hg+2]
InChIInChI=1S/2C4H5ClO2.Hg/c2*1-3(5)2-4(6)7;/h2*2H,1H3,(H,6,7);/q;;+2/p-2/b2*3-2-;
InChIKeyMYQMRSRDHNTHBJ-OZWADYBTSA-L
MW439.64 g/mol
LogP-0.24
Rot. Bonds2

About bis((Z)-3-chlorobut-2-enoate);mercury(2+)

bis((Z)-3-chlorobut-2-enoate);mercury(2+) (PubChem CID 22603930) has the molecular formula C8H8Cl2HgO4 and a molecular weight of 439.64 g/mol. Its IUPAC name is bis((Z)-3-chlorobut-2-enoate);mercury(2+).

Molecular Properties

Compound Namebis((Z)-3-chlorobut-2-enoate);mercury(2+)
PubChem CID22603930
Molecular FormulaC8H8Cl2HgO4
Molecular Weight439.64 g/mol
Exact Mass439.95
IUPAC Namebis((Z)-3-chlorobut-2-enoate);mercury(2+)
SMILESC/C(Cl)=C/C(=O)[O-].C/C(Cl)=C/C(=O)[O-].[Hg+2]
InChIInChI=1S/2C4H5ClO2.Hg/c2*1-3(5)2-4(6)7;/h2*2H,1H3,(H,6,7);/q;;+2/p-2/b2*3-2-;
InChIKeyMYQMRSRDHNTHBJ-OZWADYBTSA-L
XLogP-0.24
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.64
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 173451444
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beryllium (Z)-but-2-enedioate
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Frequently Asked Questions

What is the IUPAC name of bis((Z)-3-chlorobut-2-enoate);mercury(2+)?
The IUPAC name of bis((Z)-3-chlorobut-2-enoate);mercury(2+) (CID 22603930) is bis((Z)-3-chlorobut-2-enoate);mercury(2+).
What is the SMILES notation for bis((Z)-3-chlorobut-2-enoate);mercury(2+)?
The canonical SMILES for bis((Z)-3-chlorobut-2-enoate);mercury(2+) is C/C(Cl)=C/C(=O)[O-].C/C(Cl)=C/C(=O)[O-].[Hg+2].
What is the InChIKey of bis((Z)-3-chlorobut-2-enoate);mercury(2+)?
The InChIKey is MYQMRSRDHNTHBJ-OZWADYBTSA-L. The full InChI is InChI=1S/2C4H5ClO2.Hg/c2*1-3(5)2-4(6)7;/h2*2H,1H3,(H,6,7);/q;;+2/p-2/b2*3-2-;.
What are the key properties of bis((Z)-3-chlorobut-2-enoate);mercury(2+)?
bis((Z)-3-chlorobut-2-enoate);mercury(2+) has a molecular weight of 439.64 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3-chlorobut-2-enoate);mercury(2+) is sourced from PubChem (CID 22603930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).