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

C7H3Cl5 — CID 25608

IUPAC1,2-dichloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyATYLRBXENHNROH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.82
Rot. Bonds

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

1,2-dichloro-4-(trichloromethyl)benzene (PubChem CID 25608) has the molecular formula C7H3Cl5 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,2-dichloro-4-(trichloromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(trichloromethyl)benzene
PubChem CID25608
Molecular FormulaC7H3Cl5
Molecular Weight264.37 g/mol
Exact Mass261.87
IUPAC Name1,2-dichloro-4-(trichloromethyl)benzene
SMILESClc1ccc(C(Cl)(Cl)Cl)cc1Cl
InChIInChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
InChIKeyATYLRBXENHNROH-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.82
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 1,2-dichloro-4-(trichloromethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(trichloromethyl)benzene (CID 25608) is 1,2-dichloro-4-(trichloromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(trichloromethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(trichloromethyl)benzene is Clc1ccc(C(Cl)(Cl)Cl)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-(trichloromethyl)benzene?
The InChIKey is ATYLRBXENHNROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H.
What are the key properties of 1,2-dichloro-4-(trichloromethyl)benzene?
1,2-dichloro-4-(trichloromethyl)benzene has a molecular weight of 264.37 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(trichloromethyl)benzene is sourced from PubChem (CID 25608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).