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

C7H5Cl3 — CID 7212

IUPAC2,4-dichloro-1-(chloromethyl)benzene
SMILESClCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyIRSVDHPYXFLLDS-UHFFFAOYSA-N
MW195.48 g/mol
LogP3.73
Rot. Bonds1

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

2,4-dichloro-1-(chloromethyl)benzene (PubChem CID 7212) has the molecular formula C7H5Cl3 and a molecular weight of 195.48 g/mol. Its IUPAC name is 2,4-dichloro-1-(chloromethyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(chloromethyl)benzene
PubChem CID7212
Molecular FormulaC7H5Cl3
Molecular Weight195.48 g/mol
Exact Mass193.95
IUPAC Name2,4-dichloro-1-(chloromethyl)benzene
SMILESClCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChIKeyIRSVDHPYXFLLDS-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.48
LogP ≤ 53.73
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-(chloromethyl)benzene?
The IUPAC name of 2,4-dichloro-1-(chloromethyl)benzene (CID 7212) is 2,4-dichloro-1-(chloromethyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(chloromethyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(chloromethyl)benzene is ClCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(chloromethyl)benzene?
The InChIKey is IRSVDHPYXFLLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2.
What are the key properties of 2,4-dichloro-1-(chloromethyl)benzene?
2,4-dichloro-1-(chloromethyl)benzene has a molecular weight of 195.48 g/mol, XLogP of 3.73, 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-(chloromethyl)benzene is sourced from PubChem (CID 7212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).