tetrakis(2-chlorobenzoate);uranium(4+)

C28H16Cl4O8U — CID 51035190

IUPACtetrakis(2-chlorobenzoate);uranium(4+)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[U+4]
InChIInChI=1S/4C7H5ClO2.U/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/q;;;;+4/p-4
InChIKeyNIQHGLHUPVVMHT-UHFFFAOYSA-J
MW860.27 g/mol
LogP2.81
Rot. Bonds4

About tetrakis(2-chlorobenzoate);uranium(4+)

tetrakis(2-chlorobenzoate);uranium(4+) (PubChem CID 51035190) has the molecular formula C28H16Cl4O8U and a molecular weight of 860.27 g/mol. Its IUPAC name is tetrakis(2-chlorobenzoate);uranium(4+).

Molecular Properties

Compound Nametetrakis(2-chlorobenzoate);uranium(4+)
PubChem CID51035190
Molecular FormulaC28H16Cl4O8U
Molecular Weight860.27 g/mol
Exact Mass858.01
IUPAC Nametetrakis(2-chlorobenzoate);uranium(4+)
SMILESO=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[U+4]
InChIInChI=1S/4C7H5ClO2.U/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/q;;;;+4/p-4
InChIKeyNIQHGLHUPVVMHT-UHFFFAOYSA-J
XLogP2.81
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-chlorobenzoate);uranium(4+)?
The IUPAC name of tetrakis(2-chlorobenzoate);uranium(4+) (CID 51035190) is tetrakis(2-chlorobenzoate);uranium(4+).
What is the SMILES notation for tetrakis(2-chlorobenzoate);uranium(4+)?
The canonical SMILES for tetrakis(2-chlorobenzoate);uranium(4+) is O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[U+4].
What is the InChIKey of tetrakis(2-chlorobenzoate);uranium(4+)?
The InChIKey is NIQHGLHUPVVMHT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.U/c4*8-6-4-2-1-3-5(6)7(9)10;/h4*1-4H,(H,9,10);/q;;;;+4/p-4.
What are the key properties of tetrakis(2-chlorobenzoate);uranium(4+)?
tetrakis(2-chlorobenzoate);uranium(4+) has a molecular weight of 860.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-chlorobenzoate);uranium(4+) is sourced from PubChem (CID 51035190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).