2,3,4,5,6-pentachlorophenolate

C6Cl5O- — CID 4269236

IUPAC2,3,4,5,6-pentachlorophenolate
SMILES[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1
InChIKeyIZUPBVBPLAPZRR-UHFFFAOYSA-M
MW265.33 g/mol
LogP4.03
Rot. Bonds

About 2,3,4,5,6-pentachlorophenolate

2,3,4,5,6-pentachlorophenolate (PubChem CID 4269236) has the molecular formula C6Cl5O- and a molecular weight of 265.33 g/mol. Its IUPAC name is 2,3,4,5,6-pentachlorophenolate.

Molecular Properties

Compound Name2,3,4,5,6-pentachlorophenolate
PubChem CID4269236
Molecular FormulaC6Cl5O-
Molecular Weight265.33 g/mol
Exact Mass262.84
IUPAC Name2,3,4,5,6-pentachlorophenolate
SMILES[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1
InChIKeyIZUPBVBPLAPZRR-UHFFFAOYSA-M
XLogP4.03
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentachlorophenolate?
The IUPAC name of 2,3,4,5,6-pentachlorophenolate (CID 4269236) is 2,3,4,5,6-pentachlorophenolate.
What is the SMILES notation for 2,3,4,5,6-pentachlorophenolate?
The canonical SMILES for 2,3,4,5,6-pentachlorophenolate is [O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5,6-pentachlorophenolate?
The InChIKey is IZUPBVBPLAPZRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1.
What are the key properties of 2,3,4,5,6-pentachlorophenolate?
2,3,4,5,6-pentachlorophenolate has a molecular weight of 265.33 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentachlorophenolate is sourced from PubChem (CID 4269236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).