1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene

C12Cl10 — CID 16318

IUPAC1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
SMILESClc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChIKeyONXPZLFXDMAPRO-UHFFFAOYSA-N
MW498.66 g/mol
LogP9.89
Rot. Bonds1

About 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene

1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene (PubChem CID 16318) has the molecular formula C12Cl10 and a molecular weight of 498.66 g/mol. Its IUPAC name is 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
PubChem CID16318
Molecular FormulaC12Cl10
Molecular Weight498.66 g/mol
Exact Mass493.69
IUPAC Name1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
SMILESClc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
InChIKeyONXPZLFXDMAPRO-UHFFFAOYSA-N
XLogP9.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene?
The IUPAC name of 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene (CID 16318) is 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene is Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene?
The InChIKey is ONXPZLFXDMAPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16.
What are the key properties of 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene?
1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene has a molecular weight of 498.66 g/mol, XLogP of 9.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene is sourced from PubChem (CID 16318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).