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

C10Cl8 — CID 16692

IUPAC1,2,3,4,5,6,7,8-octachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl
InChIInChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKeyRTNLUFLDZOAXIC-UHFFFAOYSA-N
MW403.73 g/mol
LogP8.07
Rot. Bonds

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

1,2,3,4,5,6,7,8-octachloronaphthalene (PubChem CID 16692) has the molecular formula C10Cl8 and a molecular weight of 403.73 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octachloronaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octachloronaphthalene
PubChem CID16692
Molecular FormulaC10Cl8
Molecular Weight403.73 g/mol
Exact Mass399.75
IUPAC Name1,2,3,4,5,6,7,8-octachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl
InChIInChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
InChIKeyRTNLUFLDZOAXIC-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.73
LogP ≤ 58.07
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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Related Compounds

1,2,3,4-Tetrachloronaphthalene
CID 29910
1,2,3,4,5,6-Hexachloronaphthalene
CID 108177
Pentachloronaphthalene
CID 114878
Decachlorobiphenyl
CID 16318
1,2,3,5,6,7-Hexachloronaphthalene
CID 107693
1,2,3,4,6,7-Hexachloronaphthalene
CID 107698
Heptachloronaphthalene
CID 107818
Tetrachloro-o-xylene, (solid)
CID 522883
Naphthalene, 1,1,2,3,4,4,5,6,7,8-decachloro-1,4-dihydro-
CID 12857317
Pyrene, decachloro-
CID 15894973
Phenanthrene, decachloro-
CID 605342
Acenaphthylene, octachloro-
CID 634711

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octachloronaphthalene?
The IUPAC name of 1,2,3,4,5,6,7,8-octachloronaphthalene (CID 16692) is 1,2,3,4,5,6,7,8-octachloronaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octachloronaphthalene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octachloronaphthalene is Clc1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl.
What is the InChIKey of 1,2,3,4,5,6,7,8-octachloronaphthalene?
The InChIKey is RTNLUFLDZOAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12.
What are the key properties of 1,2,3,4,5,6,7,8-octachloronaphthalene?
1,2,3,4,5,6,7,8-octachloronaphthalene has a molecular weight of 403.73 g/mol, XLogP of 8.07, 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-octachloronaphthalene is sourced from PubChem (CID 16692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).