2-(2,4-dichlorophenyl)benzoyl chloride

C13H7Cl3O — CID 171785287

IUPAC2-(2,4-dichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7H
InChIKeyMGDAFKJDZGFYSG-UHFFFAOYSA-N
MW285.56 g/mol
LogP5.04
Rot. Bonds2

About 2-(2,4-dichlorophenyl)benzoyl chloride

2-(2,4-dichlorophenyl)benzoyl chloride (PubChem CID 171785287) has the molecular formula C13H7Cl3O and a molecular weight of 285.56 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)benzoyl chloride
PubChem CID171785287
Molecular FormulaC13H7Cl3O
Molecular Weight285.56 g/mol
Exact Mass283.96
IUPAC Name2-(2,4-dichlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3O/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7H
InChIKeyMGDAFKJDZGFYSG-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 55.04
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

3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride
CID 118010558
2-(2,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 119006979
2-(2,3,4-trifluorophenyl)benzoyl chloride
CID 87480347
5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
CID 118845592
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine
CID 159487162
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
5-chloro-2-fluorobenzoyl chloride
CID 2773604
2-(2-aminophenyl)benzoyl chloride
CID 54476428

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)benzoyl chloride?
The IUPAC name of 2-(2,4-dichlorophenyl)benzoyl chloride (CID 171785287) is 2-(2,4-dichlorophenyl)benzoyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)benzoyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)benzoyl chloride is O=C(Cl)c1ccccc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)benzoyl chloride?
The InChIKey is MGDAFKJDZGFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3O/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7H.
What are the key properties of 2-(2,4-dichlorophenyl)benzoyl chloride?
2-(2,4-dichlorophenyl)benzoyl chloride has a molecular weight of 285.56 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)benzoyl chloride is sourced from PubChem (CID 171785287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).