dicopper;tetrakis(2-chlorobenzoate);dihydrate

C28H20Cl4Cu2O10 — CID 139053418

IUPACdicopper;tetrakis(2-chlorobenzoate);dihydrate
SMILESO.O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2Cu.2H2O/c4*8-6-4-2-1-3-5(6)7(9)10;;;;/h4*1-4H,(H,9,10);;;2*1H2/q;;;;2*+2;;/p-4
InChIKeyQJDWOCDSIZRKEJ-UHFFFAOYSA-J
MW785.36 g/mol
LogP1.16
Rot. Bonds4

About dicopper;tetrakis(2-chlorobenzoate);dihydrate

dicopper;tetrakis(2-chlorobenzoate);dihydrate (PubChem CID 139053418) has the molecular formula C28H20Cl4Cu2O10 and a molecular weight of 785.36 g/mol. Its IUPAC name is dicopper;tetrakis(2-chlorobenzoate);dihydrate.

Molecular Properties

Compound Namedicopper;tetrakis(2-chlorobenzoate);dihydrate
PubChem CID139053418
Molecular FormulaC28H20Cl4Cu2O10
Molecular Weight785.36 g/mol
Exact Mass781.84
IUPAC Namedicopper;tetrakis(2-chlorobenzoate);dihydrate
SMILESO.O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2Cu.2H2O/c4*8-6-4-2-1-3-5(6)7(9)10;;;;/h4*1-4H,(H,9,10);;;2*1H2/q;;;;2*+2;;/p-4
InChIKeyQJDWOCDSIZRKEJ-UHFFFAOYSA-J
XLogP1.16
TPSA223.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500785.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Benzoic acid, 2-chloro-, diphenylsilylene ester
CID 3075957
Benzoic acid, 2,4-dichloro-, diphenylsilylene ester
CID 3075958
Tetrakis(4-carboxyphenyl) chlorin
CID 143820889
[(2-Chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate
CID 21155090
Scandium(III) chlorobenzoate
CID 129692967
[Mo2(O2C-Ph-p-Cl)4],2(THF)
CID 139044829
Tetrakis(2-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139114653
Tetrakis(3-chlorobenzoate);oxolane;bis(ruthenium(2+))
CID 139166061
dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
CID 139207516
Dioxidanium;tetrakis(3-chlorobenzoate);tetrakis(oxygen(2-));uranium
CID 168354522
Tetrakis(4-chlorobenzoate);bis(rhodium(2+))
CID 176442014
CID 25486
CID 25486

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-chlorobenzoate);dihydrate?
The IUPAC name of dicopper;tetrakis(2-chlorobenzoate);dihydrate (CID 139053418) is dicopper;tetrakis(2-chlorobenzoate);dihydrate.
What is the SMILES notation for dicopper;tetrakis(2-chlorobenzoate);dihydrate?
The canonical SMILES for dicopper;tetrakis(2-chlorobenzoate);dihydrate is O.O.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-chlorobenzoate);dihydrate?
The InChIKey is QJDWOCDSIZRKEJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.2Cu.2H2O/c4*8-6-4-2-1-3-5(6)7(9)10;;;;/h4*1-4H,(H,9,10);;;2*1H2/q;;;;2*+2;;/p-4.
What are the key properties of dicopper;tetrakis(2-chlorobenzoate);dihydrate?
dicopper;tetrakis(2-chlorobenzoate);dihydrate has a molecular weight of 785.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-chlorobenzoate);dihydrate is sourced from PubChem (CID 139053418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).