bis(2-chlorobenzoate);nickel(2+)

C14H8Cl2NiO4 — CID 23682

IUPACbis(2-chlorobenzoate);nickel(2+)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Ni+2]
InChIInChI=1S/2C7H5ClO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2
InChIKeyLOEMQNIBTCBKGX-UHFFFAOYSA-L
MW369.81 g/mol
LogP1.40
Rot. Bonds2

About bis(2-chlorobenzoate);nickel(2+)

bis(2-chlorobenzoate);nickel(2+) (PubChem CID 23682) has the molecular formula C14H8Cl2NiO4 and a molecular weight of 369.81 g/mol. Its IUPAC name is bis(2-chlorobenzoate);nickel(2+).

Molecular Properties

Compound Namebis(2-chlorobenzoate);nickel(2+)
PubChem CID23682
Molecular FormulaC14H8Cl2NiO4
Molecular Weight369.81 g/mol
Exact Mass367.92
IUPAC Namebis(2-chlorobenzoate);nickel(2+)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Ni+2]
InChIInChI=1S/2C7H5ClO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2
InChIKeyLOEMQNIBTCBKGX-UHFFFAOYSA-L
XLogP1.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoyl Peroxide
CID 7187
2-Chlorobenzoic Acid
CID 8374
m-Chloroperbenzoic acid
CID 70297
2,6-Dichlorobenzoic acid
CID 5758
2,4-Dichlorobenzoic Acid
CID 5787
2,5-Dichlorobenzoic acid
CID 5784
Mercuric benzoate
CID 11407
Cupric benzoate
CID 164650
Magnesium Benzoate
CID 62371
Methyl 2,5-dichlorobenzoate
CID 17947
Bis(4-chlorobenzoyl) peroxide
CID 7179
Sodium p-chlorobenzoate
CID 23691027

Frequently Asked Questions

What is the IUPAC name of bis(2-chlorobenzoate);nickel(2+)?
The IUPAC name of bis(2-chlorobenzoate);nickel(2+) (CID 23682) is bis(2-chlorobenzoate);nickel(2+).
What is the SMILES notation for bis(2-chlorobenzoate);nickel(2+)?
The canonical SMILES for bis(2-chlorobenzoate);nickel(2+) is O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Ni+2].
What is the InChIKey of bis(2-chlorobenzoate);nickel(2+)?
The InChIKey is LOEMQNIBTCBKGX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5ClO2.Ni/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2.
What are the key properties of bis(2-chlorobenzoate);nickel(2+)?
bis(2-chlorobenzoate);nickel(2+) has a molecular weight of 369.81 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chlorobenzoate);nickel(2+) is sourced from PubChem (CID 23682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).