2,3-dichloronaphthalene-1,4-dione

C10H4Cl2O2 — CID 8342

IUPAC2,3-dichloronaphthalene-1,4-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
InChIKeySVPKNMBRVBMTLB-UHFFFAOYSA-N
MW227.05 g/mol
LogP2.75
Rot. Bonds

About 2,3-dichloronaphthalene-1,4-dione

2,3-dichloronaphthalene-1,4-dione (PubChem CID 8342) has the molecular formula C10H4Cl2O2 and a molecular weight of 227.05 g/mol. Its IUPAC name is 2,3-dichloronaphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-dichloronaphthalene-1,4-dione
PubChem CID8342
Molecular FormulaC10H4Cl2O2
Molecular Weight227.05 g/mol
Exact Mass225.96
IUPAC Name2,3-dichloronaphthalene-1,4-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
InChIKeySVPKNMBRVBMTLB-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloronaphthalene-1,4-dione?
The IUPAC name of 2,3-dichloronaphthalene-1,4-dione (CID 8342) is 2,3-dichloronaphthalene-1,4-dione.
What is the SMILES notation for 2,3-dichloronaphthalene-1,4-dione?
The canonical SMILES for 2,3-dichloronaphthalene-1,4-dione is O=C1C(Cl)=C(Cl)C(=O)c2ccccc21.
What is the InChIKey of 2,3-dichloronaphthalene-1,4-dione?
The InChIKey is SVPKNMBRVBMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H.
What are the key properties of 2,3-dichloronaphthalene-1,4-dione?
2,3-dichloronaphthalene-1,4-dione has a molecular weight of 227.05 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloronaphthalene-1,4-dione is sourced from PubChem (CID 8342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).