bis(2,3-dichloropropanoate);mercury(2+)

C6H6Cl4HgO4 — CID 22603891

IUPACbis(2,3-dichloropropanoate);mercury(2+)
SMILESO=C([O-])C(Cl)CCl.O=C([O-])C(Cl)CCl.[Hg+2]
InChIInChI=1S/2C3H4Cl2O2.Hg/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2
InChIKeyRTQZONMOPSCTTA-UHFFFAOYSA-L
MW484.51 g/mol
LogP-0.84
Rot. Bonds4

About bis(2,3-dichloropropanoate);mercury(2+)

bis(2,3-dichloropropanoate);mercury(2+) (PubChem CID 22603891) has the molecular formula C6H6Cl4HgO4 and a molecular weight of 484.51 g/mol. Its IUPAC name is bis(2,3-dichloropropanoate);mercury(2+).

Molecular Properties

Compound Namebis(2,3-dichloropropanoate);mercury(2+)
PubChem CID22603891
Molecular FormulaC6H6Cl4HgO4
Molecular Weight484.51 g/mol
Exact Mass483.87
IUPAC Namebis(2,3-dichloropropanoate);mercury(2+)
SMILESO=C([O-])C(Cl)CCl.O=C([O-])C(Cl)CCl.[Hg+2]
InChIInChI=1S/2C3H4Cl2O2.Hg/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2
InChIKeyRTQZONMOPSCTTA-UHFFFAOYSA-L
XLogP-0.84
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chlorobutanoate
CID 22062893
(2S)-2-azaniumyl-3-chloropropanoate
CID 5287866
cobalt(2+);bis(2,2-dichloroacetate)
CID 18984290
bis(2,2-dichloroacetate);nickel(2+)
CID 18984292
calcium bis(2,2-dichloroacetate)
CID 56953502
2-chloropropanedioate
CID 19901306
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
disodium;2-chloropropanedioate
CID 118724292
(2R)-2-bromo-2-chloroacetate
CID 11904280
beryllium bis(2-chloroacetate)
CID 146405283
azanium 3-chloro-4-hydroxy-4-oxobutanoate
CID 88769059
tris(2-chloroacetate);iron(3+)
CID 54761770

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dichloropropanoate);mercury(2+)?
The IUPAC name of bis(2,3-dichloropropanoate);mercury(2+) (CID 22603891) is bis(2,3-dichloropropanoate);mercury(2+).
What is the SMILES notation for bis(2,3-dichloropropanoate);mercury(2+)?
The canonical SMILES for bis(2,3-dichloropropanoate);mercury(2+) is O=C([O-])C(Cl)CCl.O=C([O-])C(Cl)CCl.[Hg+2].
What is the InChIKey of bis(2,3-dichloropropanoate);mercury(2+)?
The InChIKey is RTQZONMOPSCTTA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H4Cl2O2.Hg/c2*4-1-2(5)3(6)7;/h2*2H,1H2,(H,6,7);/q;;+2/p-2.
What are the key properties of bis(2,3-dichloropropanoate);mercury(2+)?
bis(2,3-dichloropropanoate);mercury(2+) has a molecular weight of 484.51 g/mol, XLogP of -0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dichloropropanoate);mercury(2+) is sourced from PubChem (CID 22603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).