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

C8HCl5O2 — CID 101290942

IUPAC2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(Cl)cc(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C8HCl5O2/c9-2-1-3(10)5(8(13)15)6(11)4(2)7(12)14/h1H
InChIKeySBYYHTJVQLMNQO-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.40
Rot. Bonds2

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

2,4,6-trichlorobenzene-1,3-dicarbonyl chloride (PubChem CID 101290942) has the molecular formula C8HCl5O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
PubChem CID101290942
Molecular FormulaC8HCl5O2
Molecular Weight306.36 g/mol
Exact Mass303.84
IUPAC Name2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
SMILESO=C(Cl)c1c(Cl)cc(Cl)c(C(=O)Cl)c1Cl
InChIInChI=1S/C8HCl5O2/c9-2-1-3(10)5(8(13)15)6(11)4(2)7(12)14/h1H
InChIKeySBYYHTJVQLMNQO-UHFFFAOYSA-N
XLogP4.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.40
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

2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
4-carbonochloridoyl-3,5-dichloro-2-methylbenzoic acid
CID 118876298
2,4,6-trichlorobenzoic acid;2,4,6-trichlorobenzoyl chloride
CID 161186868
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
3-bromo-2,6-dichlorobenzoyl chloride
CID 171032868
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
4-bromo-2,6-dichlorobenzene-1,3-dicarboxylic acid
CID 141400007
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
benzene-1,2,3,4,5-pentacarbonyl chloride
CID 141287344
1-(2,3,4,6-tetrachlorophenyl)prop-2-en-1-one
CID 103522600
5,7-dichloro-2-cyano-3,4-dihydro-1H-2-benzoborinine-6-carbonyl chloride
CID 177314845
diethoxyphosphoryl-(2,4,6-trichloro-3-diethoxyphosphorylcarbonylphenyl)methanone
CID 57299961

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride (CID 101290942) is 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride is O=C(Cl)c1c(Cl)cc(Cl)c(C(=O)Cl)c1Cl.
What is the InChIKey of 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride?
The InChIKey is SBYYHTJVQLMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl5O2/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-trichlorobenzene-1,3-dicarbonyl chloride?
2,4,6-trichlorobenzene-1,3-dicarbonyl chloride has a molecular weight of 306.36 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichlorobenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 101290942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).