1,3-dichloronaphthalene

C10H6Cl2 — CID 16618

IUPAC1,3-dichloronaphthalene
SMILESClc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C10H6Cl2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H
InChIKeyAMCBMCWLCDERHY-UHFFFAOYSA-N
MW197.06 g/mol
LogP4.15
Rot. Bonds

About 1,3-dichloronaphthalene

1,3-dichloronaphthalene (PubChem CID 16618) has the molecular formula C10H6Cl2 and a molecular weight of 197.06 g/mol. Its IUPAC name is 1,3-dichloronaphthalene.

Molecular Properties

Compound Name1,3-dichloronaphthalene
PubChem CID16618
Molecular FormulaC10H6Cl2
Molecular Weight197.06 g/mol
Exact Mass195.98
IUPAC Name1,3-dichloronaphthalene
SMILESClc1cc(Cl)c2ccccc2c1
InChIInChI=1S/C10H6Cl2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H
InChIKeyAMCBMCWLCDERHY-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2',3,3',4-Pentachlorobiphenyl
CID 40470
1-Chloronaphthalene
CID 7003
3,3',5-Trichlorobiphenyl
CID 38037
2,2',3,4'-Tetrachlorobiphenyl
CID 63103
Pcb 105
CID 36188
1,2,3,4-Tetrachloronaphthalene
CID 29910
2,2',6,6'-Tetrachlorobiphenyl
CID 27588
2,4'-Dichlorobiphenyl
CID 36982
2,3,3',4,4',5'-Hexachlorobiphenyl
CID 50891
2-Chloronaphthalene
CID 7056
2,4,4'-Trichlorobiphenyl
CID 23448
Pcb 104
CID 91662

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloronaphthalene?
The IUPAC name of 1,3-dichloronaphthalene (CID 16618) is 1,3-dichloronaphthalene.
What is the SMILES notation for 1,3-dichloronaphthalene?
The canonical SMILES for 1,3-dichloronaphthalene is Clc1cc(Cl)c2ccccc2c1.
What is the InChIKey of 1,3-dichloronaphthalene?
The InChIKey is AMCBMCWLCDERHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H.
What are the key properties of 1,3-dichloronaphthalene?
1,3-dichloronaphthalene has a molecular weight of 197.06 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloronaphthalene is sourced from PubChem (CID 16618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).