zinc;dichlorocopper(1-);methyl benzoate

C8H7Cl2CuO2Zn — CID 134888438

IUPACzinc;dichlorocopper(1-);methyl benzoate
SMILESCOC(=O)c1c[c-]ccc1.Cl[Cu-]Cl.[Zn+2]
InChIInChI=1S/C8H7O2.2ClH.Cu.Zn/c1-10-8(9)7-5-3-2-4-6-7;;;;/h2-3,5-6H,1H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyYGTGZGQUELDFLC-UHFFFAOYSA-L
MW334.98 g/mol
LogP2.65
Rot. Bonds1

About zinc;dichlorocopper(1-);methyl benzoate

zinc;dichlorocopper(1-);methyl benzoate (PubChem CID 134888438) has the molecular formula C8H7Cl2CuO2Zn and a molecular weight of 334.98 g/mol. Its IUPAC name is zinc;dichlorocopper(1-);methyl benzoate.

Molecular Properties

Compound Namezinc;dichlorocopper(1-);methyl benzoate
PubChem CID134888438
Molecular FormulaC8H7Cl2CuO2Zn
Molecular Weight334.98 g/mol
Exact Mass331.84
IUPAC Namezinc;dichlorocopper(1-);methyl benzoate
SMILESCOC(=O)c1c[c-]ccc1.Cl[Cu-]Cl.[Zn+2]
InChIInChI=1S/C8H7O2.2ClH.Cu.Zn/c1-10-8(9)7-5-3-2-4-6-7;;;;/h2-3,5-6H,1H3;2*1H;;/q-1;;;+1;+2/p-2
InChIKeyYGTGZGQUELDFLC-UHFFFAOYSA-L
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;dichlorocopper(1-);methyl benzoate?
The IUPAC name of zinc;dichlorocopper(1-);methyl benzoate (CID 134888438) is zinc;dichlorocopper(1-);methyl benzoate.
What is the SMILES notation for zinc;dichlorocopper(1-);methyl benzoate?
The canonical SMILES for zinc;dichlorocopper(1-);methyl benzoate is COC(=O)c1c[c-]ccc1.Cl[Cu-]Cl.[Zn+2].
What is the InChIKey of zinc;dichlorocopper(1-);methyl benzoate?
The InChIKey is YGTGZGQUELDFLC-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H7O2.2ClH.Cu.Zn/c1-10-8(9)7-5-3-2-4-6-7;;;;/h2-3,5-6H,1H3;2*1H;;/q-1;;;+1;+2/p-2.
What are the key properties of zinc;dichlorocopper(1-);methyl benzoate?
zinc;dichlorocopper(1-);methyl benzoate has a molecular weight of 334.98 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dichlorocopper(1-);methyl benzoate is sourced from PubChem (CID 134888438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).