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

C13H9Br2Cl — CID 107955854

IUPAC2,4-dibromo-1-[chloro(phenyl)methyl]benzene
SMILESClC(c1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2Cl/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H
InChIKeyQKELLRIIWAMWQE-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.54
Rot. Bonds2

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

2,4-dibromo-1-[chloro(phenyl)methyl]benzene (PubChem CID 107955854) has the molecular formula C13H9Br2Cl and a molecular weight of 360.48 g/mol. Its IUPAC name is 2,4-dibromo-1-[chloro(phenyl)methyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[chloro(phenyl)methyl]benzene
PubChem CID107955854
Molecular FormulaC13H9Br2Cl
Molecular Weight360.48 g/mol
Exact Mass357.88
IUPAC Name2,4-dibromo-1-[chloro(phenyl)methyl]benzene
SMILESClC(c1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br2Cl/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H
InChIKeyQKELLRIIWAMWQE-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.54
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

2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
CID 63429179
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
2,4-dibromo-1-[bromo-(4-bromophenyl)methyl]benzene
CID 107957822
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
4-bromo-1-[chloro-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 55199444
1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
CID 107980813
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
2-bromo-4-chloro-1-[chloro-(4-fluorophenyl)methyl]benzene
CID 107991413
1-bromo-4-[(2S,3R)-1,3-dichloro-2,3-diphenylpropyl]benzene
CID 11611484

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[chloro(phenyl)methyl]benzene?
The IUPAC name of 2,4-dibromo-1-[chloro(phenyl)methyl]benzene (CID 107955854) is 2,4-dibromo-1-[chloro(phenyl)methyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[chloro(phenyl)methyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[chloro(phenyl)methyl]benzene is ClC(c1ccccc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[chloro(phenyl)methyl]benzene?
The InChIKey is QKELLRIIWAMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 2,4-dibromo-1-[chloro(phenyl)methyl]benzene?
2,4-dibromo-1-[chloro(phenyl)methyl]benzene has a molecular weight of 360.48 g/mol, XLogP of 5.54, 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(phenyl)methyl]benzene is sourced from PubChem (CID 107955854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).