1,2,3,4,5-pentachlorobenzene

C6HCl5 — CID 11855

IUPAC1,2,3,4,5-pentachlorobenzene
SMILESClc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyCEOCDNVZRAIOQZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.95
Rot. Bonds

About 1,2,3,4,5-pentachlorobenzene

1,2,3,4,5-pentachlorobenzene (PubChem CID 11855) has the molecular formula C6HCl5 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,2,3,4,5-pentachlorobenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentachlorobenzene
PubChem CID11855
Molecular FormulaC6HCl5
Molecular Weight250.34 g/mol
Exact Mass247.85
IUPAC Name1,2,3,4,5-pentachlorobenzene
SMILESClc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKeyCEOCDNVZRAIOQZ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.95
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-pentachlorobenzene?
The IUPAC name of 1,2,3,4,5-pentachlorobenzene (CID 11855) is 1,2,3,4,5-pentachlorobenzene.
What is the SMILES notation for 1,2,3,4,5-pentachlorobenzene?
The canonical SMILES for 1,2,3,4,5-pentachlorobenzene is Clc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3,4,5-pentachlorobenzene?
The InChIKey is CEOCDNVZRAIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H.
What are the key properties of 1,2,3,4,5-pentachlorobenzene?
1,2,3,4,5-pentachlorobenzene has a molecular weight of 250.34 g/mol, XLogP of 4.95, 0 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-pentachlorobenzene is sourced from PubChem (CID 11855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).