1,2,3,4-tetrachloronaphthalene

C10H4Cl4 — CID 29910

IUPAC1,2,3,4-tetrachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2ccccc2c1Cl
InChIInChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
InChIKeyNAQWICRLNQSPPW-UHFFFAOYSA-N
MW265.95 g/mol
LogP5.45
Rot. Bonds

About 1,2,3,4-tetrachloronaphthalene

1,2,3,4-tetrachloronaphthalene (PubChem CID 29910) has the molecular formula C10H4Cl4 and a molecular weight of 265.95 g/mol. Its IUPAC name is 1,2,3,4-tetrachloronaphthalene.

Molecular Properties

Compound Name1,2,3,4-tetrachloronaphthalene
PubChem CID29910
Molecular FormulaC10H4Cl4
Molecular Weight265.95 g/mol
Exact Mass263.91
IUPAC Name1,2,3,4-tetrachloronaphthalene
SMILESClc1c(Cl)c(Cl)c2ccccc2c1Cl
InChIInChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
InChIKeyNAQWICRLNQSPPW-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.95
LogP ≤ 55.45
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

2,2',4,4',5,5'-Hexachlorobiphenyl
CID 37034
2,2',3,3',4-Pentachlorobiphenyl
CID 40470
1-Chloronaphthalene
CID 7003
Pcb 126
CID 63090
Pcb 128
CID 38018
2,3',4,4',5-Pentachlorobiphenyl
CID 35823
Pcb 105
CID 36188
2,3,3',4,4',5-Hexachlorobiphenyl
CID 38019
Pcb 187
CID 40475
Pcb 114
CID 53036
Octachloronaphthalene
CID 16692
2,3',4,4',5,5'-Hexachlorobiphenyl
CID 40479

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloronaphthalene?
The IUPAC name of 1,2,3,4-tetrachloronaphthalene (CID 29910) is 1,2,3,4-tetrachloronaphthalene.
What is the SMILES notation for 1,2,3,4-tetrachloronaphthalene?
The canonical SMILES for 1,2,3,4-tetrachloronaphthalene is Clc1c(Cl)c(Cl)c2ccccc2c1Cl.
What is the InChIKey of 1,2,3,4-tetrachloronaphthalene?
The InChIKey is NAQWICRLNQSPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H.
What are the key properties of 1,2,3,4-tetrachloronaphthalene?
1,2,3,4-tetrachloronaphthalene has a molecular weight of 265.95 g/mol, XLogP of 5.45, 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-tetrachloronaphthalene is sourced from PubChem (CID 29910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).