4-chlorobenzene-1,2-dicarbonyl chloride

C8H3Cl3O2 — CID 15044562

IUPAC4-chlorobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1C(=O)Cl
InChIInChI=1S/C8H3Cl3O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H
InChIKeyRNOVZBXRHVJOCI-UHFFFAOYSA-N
MW237.47 g/mol
LogP3.10
Rot. Bonds2

About 4-chlorobenzene-1,2-dicarbonyl chloride

4-chlorobenzene-1,2-dicarbonyl chloride (PubChem CID 15044562) has the molecular formula C8H3Cl3O2 and a molecular weight of 237.47 g/mol. Its IUPAC name is 4-chlorobenzene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name4-chlorobenzene-1,2-dicarbonyl chloride
PubChem CID15044562
Molecular FormulaC8H3Cl3O2
Molecular Weight237.47 g/mol
Exact Mass235.92
IUPAC Name4-chlorobenzene-1,2-dicarbonyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1C(=O)Cl
InChIInChI=1S/C8H3Cl3O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H
InChIKeyRNOVZBXRHVJOCI-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzene-1,2-dicarbonyl chloride?
The IUPAC name of 4-chlorobenzene-1,2-dicarbonyl chloride (CID 15044562) is 4-chlorobenzene-1,2-dicarbonyl chloride.
What is the SMILES notation for 4-chlorobenzene-1,2-dicarbonyl chloride?
The canonical SMILES for 4-chlorobenzene-1,2-dicarbonyl chloride is O=C(Cl)c1ccc(Cl)cc1C(=O)Cl.
What is the InChIKey of 4-chlorobenzene-1,2-dicarbonyl chloride?
The InChIKey is RNOVZBXRHVJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3O2/c9-4-1-2-5(7(10)12)6(3-4)8(11)13/h1-3H.
What are the key properties of 4-chlorobenzene-1,2-dicarbonyl chloride?
4-chlorobenzene-1,2-dicarbonyl chloride has a molecular weight of 237.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzene-1,2-dicarbonyl chloride is sourced from PubChem (CID 15044562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).