1,2,3,4,5,6,7,8-octachloroacenaphthylene

C12Cl8 — CID 634711

IUPAC1,2,3,4,5,6,7,8-octachloroacenaphthylene
SMILESClC1=C(Cl)c2c(Cl)c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c1c23
InChIInChI=1S/C12Cl8/c13-5-2-1-3(6(5)14)8(16)12(20)10(18)4(1)9(17)11(19)7(2)15
InChIKeyZAFNYNRBTOVYPF-UHFFFAOYSA-N
MW427.76 g/mol
LogP8.38
Rot. Bonds

About 1,2,3,4,5,6,7,8-octachloroacenaphthylene

1,2,3,4,5,6,7,8-octachloroacenaphthylene (PubChem CID 634711) has the molecular formula C12Cl8 and a molecular weight of 427.76 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octachloroacenaphthylene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octachloroacenaphthylene
PubChem CID634711
Molecular FormulaC12Cl8
Molecular Weight427.76 g/mol
Exact Mass423.75
IUPAC Name1,2,3,4,5,6,7,8-octachloroacenaphthylene
SMILESClC1=C(Cl)c2c(Cl)c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c1c23
InChIInChI=1S/C12Cl8/c13-5-2-1-3(6(5)14)8(16)12(20)10(18)4(1)9(17)11(19)7(2)15
InChIKeyZAFNYNRBTOVYPF-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.76
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octachloroacenaphthylene?
The IUPAC name of 1,2,3,4,5,6,7,8-octachloroacenaphthylene (CID 634711) is 1,2,3,4,5,6,7,8-octachloroacenaphthylene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octachloroacenaphthylene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octachloroacenaphthylene is ClC1=C(Cl)c2c(Cl)c(Cl)c(Cl)c3c(Cl)c(Cl)c(Cl)c1c23.
What is the InChIKey of 1,2,3,4,5,6,7,8-octachloroacenaphthylene?
The InChIKey is ZAFNYNRBTOVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Cl8/c13-5-2-1-3(6(5)14)8(16)12(20)10(18)4(1)9(17)11(19)7(2)15.
What are the key properties of 1,2,3,4,5,6,7,8-octachloroacenaphthylene?
1,2,3,4,5,6,7,8-octachloroacenaphthylene has a molecular weight of 427.76 g/mol, XLogP of 8.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octachloroacenaphthylene is sourced from PubChem (CID 634711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).