2,3-dichlorobenzoyl chloride

C7H3Cl3O — CID 17944

IUPAC2,3-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H
InChIKeyYBONBWJSFMTXLE-UHFFFAOYSA-N
MW209.46 g/mol
LogP3.37
Rot. Bonds1

About 2,3-dichlorobenzoyl chloride

2,3-dichlorobenzoyl chloride (PubChem CID 17944) has the molecular formula C7H3Cl3O and a molecular weight of 209.46 g/mol. Its IUPAC name is 2,3-dichlorobenzoyl chloride.

Molecular Properties

Compound Name2,3-dichlorobenzoyl chloride
PubChem CID17944
Molecular FormulaC7H3Cl3O
Molecular Weight209.46 g/mol
Exact Mass207.92
IUPAC Name2,3-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H
InChIKeyYBONBWJSFMTXLE-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzoyl chloride
CID 8501
2',3',4'-Trichloroacetophenone
CID 26132
2,4-Dichlorobenzoyl chloride
CID 66645
2-Chlorobenzoyl chloride
CID 69110
3,4-Dichlorobenzaldehyde
CID 22710
Ethanone, 1-(2,5-dichlorophenyl)-
CID 75587
3,5-Dichlorobenzoyl chloride
CID 76191
Ethanone, 1-(3,4-dichlorophenyl)-
CID 75841
Benzoyl chloride, 3-chloro-
CID 69252
2,6-Dichlorobenzoyl chloride
CID 78392
2,3-Dichlorobenzaldehyde
CID 35745
2,3,6-Trichlorobenzaldehyde
CID 20781

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorobenzoyl chloride?
The IUPAC name of 2,3-dichlorobenzoyl chloride (CID 17944) is 2,3-dichlorobenzoyl chloride.
What is the SMILES notation for 2,3-dichlorobenzoyl chloride?
The canonical SMILES for 2,3-dichlorobenzoyl chloride is O=C(Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichlorobenzoyl chloride?
The InChIKey is YBONBWJSFMTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H.
What are the key properties of 2,3-dichlorobenzoyl chloride?
2,3-dichlorobenzoyl chloride has a molecular weight of 209.46 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobenzoyl chloride is sourced from PubChem (CID 17944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).