2,4-dichlorobenzene-1,3-dicarbonyl chloride

C8H2Cl4O2 — CID 21288822

IUPAC2,4-dichlorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C8H2Cl4O2/c9-4-2-1-3(7(11)13)6(10)5(4)8(12)14/h1-2H
InChIKeyWBHIYWPIUXRRTD-UHFFFAOYSA-N
MW271.91 g/mol
LogP3.75
Rot. Bonds2

About 2,4-dichlorobenzene-1,3-dicarbonyl chloride

2,4-dichlorobenzene-1,3-dicarbonyl chloride (PubChem CID 21288822) has the molecular formula C8H2Cl4O2 and a molecular weight of 271.91 g/mol. Its IUPAC name is 2,4-dichlorobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2,4-dichlorobenzene-1,3-dicarbonyl chloride
PubChem CID21288822
Molecular FormulaC8H2Cl4O2
Molecular Weight271.91 g/mol
Exact Mass269.88
IUPAC Name2,4-dichlorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C8H2Cl4O2/c9-4-2-1-3(7(11)13)6(10)5(4)8(12)14/h1-2H
InChIKeyWBHIYWPIUXRRTD-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.91
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

CID 66645
CID 66645
CID 69110
CID 69110
CID 16693
CID 16693
CID 78392
CID 78392
CID 2733703
CID 2733703
CID 2736821
CID 2736821
CID 2778106
CID 2778106
CID 2773671
CID 2773671
CID 3827633
CID 3827633
CID 19367940
CID 19367940
CID 9856132
CID 9856132
CID 10988086
CID 10988086

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2,4-dichlorobenzene-1,3-dicarbonyl chloride (CID 21288822) is 2,4-dichlorobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2,4-dichlorobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2,4-dichlorobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1ccc(Cl)c(C(=O)Cl)c1Cl.
What is the InChIKey of 2,4-dichlorobenzene-1,3-dicarbonyl chloride?
The InChIKey is WBHIYWPIUXRRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4O2/c9-4-2-1-3(7(11)13)6(10)5(4)8(12)14/h1-2H.
What are the key properties of 2,4-dichlorobenzene-1,3-dicarbonyl chloride?
2,4-dichlorobenzene-1,3-dicarbonyl chloride has a molecular weight of 271.91 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 21288822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).