(2,3,4,5,6-pentachlorophenyl) hypochlorite

C6Cl6O — CID 19035248

IUPAC(2,3,4,5,6-pentachlorophenyl) hypochlorite
SMILESClOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl6O/c7-1-2(8)4(10)6(13-12)5(11)3(1)9
InChIKeyQLUMYZZMKLAMSN-UHFFFAOYSA-N
MW300.78 g/mol
LogP5.49
Rot. Bonds1

About (2,3,4,5,6-pentachlorophenyl) hypochlorite

(2,3,4,5,6-pentachlorophenyl) hypochlorite (PubChem CID 19035248) has the molecular formula C6Cl6O and a molecular weight of 300.78 g/mol. Its IUPAC name is (2,3,4,5,6-pentachlorophenyl) hypochlorite.

Molecular Properties

Compound Name(2,3,4,5,6-pentachlorophenyl) hypochlorite
PubChem CID19035248
Molecular FormulaC6Cl6O
Molecular Weight300.78 g/mol
Exact Mass297.81
IUPAC Name(2,3,4,5,6-pentachlorophenyl) hypochlorite
SMILESClOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl6O/c7-1-2(8)4(10)6(13-12)5(11)3(1)9
InChIKeyQLUMYZZMKLAMSN-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.78
LogP ≤ 55.49
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-pentachlorophenyl) hypochlorite?
The IUPAC name of (2,3,4,5,6-pentachlorophenyl) hypochlorite (CID 19035248) is (2,3,4,5,6-pentachlorophenyl) hypochlorite.
What is the SMILES notation for (2,3,4,5,6-pentachlorophenyl) hypochlorite?
The canonical SMILES for (2,3,4,5,6-pentachlorophenyl) hypochlorite is ClOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of (2,3,4,5,6-pentachlorophenyl) hypochlorite?
The InChIKey is QLUMYZZMKLAMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl6O/c7-1-2(8)4(10)6(13-12)5(11)3(1)9.
What are the key properties of (2,3,4,5,6-pentachlorophenyl) hypochlorite?
(2,3,4,5,6-pentachlorophenyl) hypochlorite has a molecular weight of 300.78 g/mol, XLogP of 5.49, 1 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-pentachlorophenyl) hypochlorite is sourced from PubChem (CID 19035248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).