2,4,6-tribromobenzene-1,3-dicarbonyl chloride

C8HBr3Cl2O2 — CID 101290944

IUPAC2,4,6-tribromobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(Br)cc(Br)c(C(=O)Cl)c1Br
InChIInChI=1S/C8HBr3Cl2O2/c9-2-1-3(10)5(8(13)15)6(11)4(2)7(12)14/h1H
InChIKeyFJBHGEBBCWIUSO-UHFFFAOYSA-N
MW439.71 g/mol
LogP4.73
Rot. Bonds2

About 2,4,6-tribromobenzene-1,3-dicarbonyl chloride

2,4,6-tribromobenzene-1,3-dicarbonyl chloride (PubChem CID 101290944) has the molecular formula C8HBr3Cl2O2 and a molecular weight of 439.71 g/mol. Its IUPAC name is 2,4,6-tribromobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2,4,6-tribromobenzene-1,3-dicarbonyl chloride
PubChem CID101290944
Molecular FormulaC8HBr3Cl2O2
Molecular Weight439.71 g/mol
Exact Mass435.69
IUPAC Name2,4,6-tribromobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(Br)cc(Br)c(C(=O)Cl)c1Br
InChIInChI=1S/C8HBr3Cl2O2/c9-2-1-3(10)5(8(13)15)6(11)4(2)7(12)14/h1H
InChIKeyFJBHGEBBCWIUSO-UHFFFAOYSA-N
XLogP4.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.71
LogP ≤ 54.73
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 2,4,6-tribromobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2,4,6-tribromobenzene-1,3-dicarbonyl chloride (CID 101290944) is 2,4,6-tribromobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2,4,6-tribromobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2,4,6-tribromobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1c(Br)cc(Br)c(C(=O)Cl)c1Br.
What is the InChIKey of 2,4,6-tribromobenzene-1,3-dicarbonyl chloride?
The InChIKey is FJBHGEBBCWIUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HBr3Cl2O2/c9-2-1-3(10)5(8(13)15)6(11)4(2)7(12)14/h1H.
What are the key properties of 2,4,6-tribromobenzene-1,3-dicarbonyl chloride?
2,4,6-tribromobenzene-1,3-dicarbonyl chloride has a molecular weight of 439.71 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 101290944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).