cobalt(2+);bis(2,2-dichloroacetate)

C4H2Cl4CoO4 — CID 18984290

IUPACcobalt(2+);bis(2,2-dichloroacetate)
SMILESO=C([O-])C(Cl)Cl.O=C([O-])C(Cl)Cl.[Co+2]
InChIInChI=1S/2C2H2Cl2O2.Co/c2*3-1(4)2(5)6;/h2*1H,(H,5,6);/q;;+2/p-2
InChIKeyLTDRILYSHFTKIQ-UHFFFAOYSA-L
MW314.80 g/mol
LogP-0.92
Rot. Bonds2

About cobalt(2+);bis(2,2-dichloroacetate)

cobalt(2+);bis(2,2-dichloroacetate) (PubChem CID 18984290) has the molecular formula C4H2Cl4CoO4 and a molecular weight of 314.80 g/mol. Its IUPAC name is cobalt(2+);bis(2,2-dichloroacetate).

Molecular Properties

Compound Namecobalt(2+);bis(2,2-dichloroacetate)
PubChem CID18984290
Molecular FormulaC4H2Cl4CoO4
Molecular Weight314.80 g/mol
Exact Mass312.80
IUPAC Namecobalt(2+);bis(2,2-dichloroacetate)
SMILESO=C([O-])C(Cl)Cl.O=C([O-])C(Cl)Cl.[Co+2]
InChIInChI=1S/2C2H2Cl2O2.Co/c2*3-1(4)2(5)6;/h2*1H,(H,5,6);/q;;+2/p-2
InChIKeyLTDRILYSHFTKIQ-UHFFFAOYSA-L
XLogP-0.92
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium bis(2,2-dichloroacetate)
CID 56953502
bis(2,2-dichloroacetate);nickel(2+)
CID 18984292
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
2-chloropropanedioate
CID 19901306
(2R)-2-bromo-2-chloroacetate
CID 11904280
disodium;2-chloropropanedioate
CID 118724292
2-chloro-3-methylbutanoate
CID 19083669
3-chloro-2-methylbutanoate
CID 19773769
potassium 2-chloro-3-oxopropanoate
CID 87271899
bis(2,3-dichloropropanoate);mercury(2+)
CID 22603891
2-chlorobutanoate
CID 22062893
cobalt(2+);molybdenum(4+);tricarbonate
CID 158129727

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,2-dichloroacetate)?
The IUPAC name of cobalt(2+);bis(2,2-dichloroacetate) (CID 18984290) is cobalt(2+);bis(2,2-dichloroacetate).
What is the SMILES notation for cobalt(2+);bis(2,2-dichloroacetate)?
The canonical SMILES for cobalt(2+);bis(2,2-dichloroacetate) is O=C([O-])C(Cl)Cl.O=C([O-])C(Cl)Cl.[Co+2].
What is the InChIKey of cobalt(2+);bis(2,2-dichloroacetate)?
The InChIKey is LTDRILYSHFTKIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2Cl2O2.Co/c2*3-1(4)2(5)6;/h2*1H,(H,5,6);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis(2,2-dichloroacetate)?
cobalt(2+);bis(2,2-dichloroacetate) has a molecular weight of 314.80 g/mol, XLogP of -0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2,2-dichloroacetate) is sourced from PubChem (CID 18984290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).