2,4-dichloro-1-(dichloromethyl)benzene

C7H4Cl4 — CID 8637

IUPAC2,4-dichloro-1-(dichloromethyl)benzene
SMILESClc1ccc(C(Cl)Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
InChIKeyAQVKVGOTPBBVMS-UHFFFAOYSA-N
MW229.92 g/mol
LogP4.47
Rot. Bonds1

About 2,4-dichloro-1-(dichloromethyl)benzene

2,4-dichloro-1-(dichloromethyl)benzene (PubChem CID 8637) has the molecular formula C7H4Cl4 and a molecular weight of 229.92 g/mol. Its IUPAC name is 2,4-dichloro-1-(dichloromethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(dichloromethyl)benzene
PubChem CID8637
Molecular FormulaC7H4Cl4
Molecular Weight229.92 g/mol
Exact Mass227.91
IUPAC Name2,4-dichloro-1-(dichloromethyl)benzene
SMILESClc1ccc(C(Cl)Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
InChIKeyAQVKVGOTPBBVMS-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(dichloromethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(dichloromethyl)benzene (CID 8637) is 2,4-dichloro-1-(dichloromethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(dichloromethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(dichloromethyl)benzene is Clc1ccc(C(Cl)Cl)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-1-(dichloromethyl)benzene?
The InChIKey is AQVKVGOTPBBVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H.
What are the key properties of 2,4-dichloro-1-(dichloromethyl)benzene?
2,4-dichloro-1-(dichloromethyl)benzene has a molecular weight of 229.92 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(dichloromethyl)benzene is sourced from PubChem (CID 8637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).