1,2,3-trichloronaphthalene

C10H5Cl3 — CID 524223

IUPAC1,2,3-trichloronaphthalene
SMILESClc1cc2ccccc2c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
InChIKeyQEPTXDCPBXMWJC-UHFFFAOYSA-N
MW231.51 g/mol
LogP4.80
Rot. Bonds

About 1,2,3-trichloronaphthalene

1,2,3-trichloronaphthalene (PubChem CID 524223) has the molecular formula C10H5Cl3 and a molecular weight of 231.51 g/mol. Its IUPAC name is 1,2,3-trichloronaphthalene.

Molecular Properties

Compound Name1,2,3-trichloronaphthalene
PubChem CID524223
Molecular FormulaC10H5Cl3
Molecular Weight231.51 g/mol
Exact Mass229.95
IUPAC Name1,2,3-trichloronaphthalene
SMILESClc1cc2ccccc2c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H
InChIKeyQEPTXDCPBXMWJC-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.51
LogP ≤ 54.80
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-trichloronaphthalene?
The IUPAC name of 1,2,3-trichloronaphthalene (CID 524223) is 1,2,3-trichloronaphthalene.
What is the SMILES notation for 1,2,3-trichloronaphthalene?
The canonical SMILES for 1,2,3-trichloronaphthalene is Clc1cc2ccccc2c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloronaphthalene?
The InChIKey is QEPTXDCPBXMWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H.
What are the key properties of 1,2,3-trichloronaphthalene?
1,2,3-trichloronaphthalene has a molecular weight of 231.51 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloronaphthalene is sourced from PubChem (CID 524223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).