2-(2,4-dichlorophenyl)propanoyl chloride

C9H7Cl3O — CID 14408749

IUPAC2-(2,4-dichlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O/c1-5(9(12)13)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyNZTBAHSDAZDHBR-UHFFFAOYSA-N
MW237.51 g/mol
LogP3.86
Rot. Bonds2

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

2-(2,4-dichlorophenyl)propanoyl chloride (PubChem CID 14408749) has the molecular formula C9H7Cl3O and a molecular weight of 237.51 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)propanoyl chloride
PubChem CID14408749
Molecular FormulaC9H7Cl3O
Molecular Weight237.51 g/mol
Exact Mass235.96
IUPAC Name2-(2,4-dichlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O/c1-5(9(12)13)7-3-2-6(10)4-8(7)11/h2-5H,1H3
InChIKeyNZTBAHSDAZDHBR-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.51
LogP ≤ 53.86
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

2-(2,5-dichlorophenyl)propanoyl chloride
CID 117047606
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
2-(5-chloro-1-benzothiophen-3-yl)propanoyl chloride
CID 119091237
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-(2,4-dichlorophenyl)-1-(1,2-dihydropyridin-4-yl)propan-1-one
CID 141298472
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
tert-butyl 2-chloro-2-(2,4-dichlorophenyl)acetate
CID 54191230
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)propanoyl chloride?
The IUPAC name of 2-(2,4-dichlorophenyl)propanoyl chloride (CID 14408749) is 2-(2,4-dichlorophenyl)propanoyl chloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)propanoyl chloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)propanoyl chloride is CC(C(=O)Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)propanoyl chloride?
The InChIKey is NZTBAHSDAZDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O/c1-5(9(12)13)7-3-2-6(10)4-8(7)11/h2-5H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)propanoyl chloride?
2-(2,4-dichlorophenyl)propanoyl chloride has a molecular weight of 237.51 g/mol, XLogP of 3.86, 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)propanoyl chloride is sourced from PubChem (CID 14408749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).