2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene

C13H8Br2Cl2 — CID 107955847

IUPAC2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br2Cl2/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyIQSKAGOWNFJBIJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP6.19
Rot. Bonds2

About 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene

2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene (PubChem CID 107955847) has the molecular formula C13H8Br2Cl2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
PubChem CID107955847
Molecular FormulaC13H8Br2Cl2
Molecular Weight394.92 g/mol
Exact Mass391.84
IUPAC Name2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C13H8Br2Cl2/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H
InChIKeyIQSKAGOWNFJBIJ-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.92
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
CID 107992000
2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
CID 107957822
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
1-bromo-4-chlorobenzene
CID 7806
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene?
The IUPAC name of 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene (CID 107955847) is 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene is Clc1ccc(C(Cl)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene?
The InChIKey is IQSKAGOWNFJBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H.
What are the key properties of 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene?
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene has a molecular weight of 394.92 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene is sourced from PubChem (CID 107955847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).