chloro-[(E)-2-chloro-2-methoxyethenyl]mercury

C3H4Cl2HgO — CID 134988444

IUPACchloro-[(E)-2-chloro-2-methoxyethenyl]mercury
SMILESCO/C(Cl)=C\[Hg]Cl
InChIInChI=1S/C3H4ClO.ClH.Hg/c1-3(4)5-2;;/h1H,2H3;1H;/q;;+1/p-1
InChIKeyDXFHDVRMUAQHJO-UHFFFAOYSA-M
MW327.56 g/mol
LogP1.91
Rot. Bonds2

About chloro-[(E)-2-chloro-2-methoxyethenyl]mercury

chloro-[(E)-2-chloro-2-methoxyethenyl]mercury (PubChem CID 134988444) has the molecular formula C3H4Cl2HgO and a molecular weight of 327.56 g/mol. Its IUPAC name is chloro-[(E)-2-chloro-2-methoxyethenyl]mercury.

Molecular Properties

Compound Namechloro-[(E)-2-chloro-2-methoxyethenyl]mercury
PubChem CID134988444
Molecular FormulaC3H4Cl2HgO
Molecular Weight327.56 g/mol
Exact Mass327.93
IUPAC Namechloro-[(E)-2-chloro-2-methoxyethenyl]mercury
SMILESCO/C(Cl)=C\[Hg]Cl
InChIInChI=1S/C3H4ClO.ClH.Hg/c1-3(4)5-2;;/h1H,2H3;1H;/q;;+1/p-1
InChIKeyDXFHDVRMUAQHJO-UHFFFAOYSA-M
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-2-chloro-2-methoxyethenyl]mercury?
The IUPAC name of chloro-[(E)-2-chloro-2-methoxyethenyl]mercury (CID 134988444) is chloro-[(E)-2-chloro-2-methoxyethenyl]mercury.
What is the SMILES notation for chloro-[(E)-2-chloro-2-methoxyethenyl]mercury?
The canonical SMILES for chloro-[(E)-2-chloro-2-methoxyethenyl]mercury is CO/C(Cl)=C\[Hg]Cl.
What is the InChIKey of chloro-[(E)-2-chloro-2-methoxyethenyl]mercury?
The InChIKey is DXFHDVRMUAQHJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4ClO.ClH.Hg/c1-3(4)5-2;;/h1H,2H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(E)-2-chloro-2-methoxyethenyl]mercury?
chloro-[(E)-2-chloro-2-methoxyethenyl]mercury has a molecular weight of 327.56 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-2-chloro-2-methoxyethenyl]mercury is sourced from PubChem (CID 134988444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).