2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene

C13H9Br2Cl — CID 107991611

IUPAC2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
SMILESClc1ccc(C(Br)c2ccccc2)cc1Br
InChIInChI=1S/C13H9Br2Cl/c14-11-8-10(6-7-12(11)16)13(15)9-4-2-1-3-5-9/h1-8,13H
InChIKeyPEFMDBLWDQNPMV-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.59
Rot. Bonds2

About 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene

2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene (PubChem CID 107991611) has the molecular formula C13H9Br2Cl and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
PubChem CID107991611
Molecular FormulaC13H9Br2Cl
Molecular Weight360.48 g/mol
Exact Mass357.88
IUPAC Name2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
SMILESClc1ccc(C(Br)c2ccccc2)cc1Br
InChIInChI=1S/C13H9Br2Cl/c14-11-8-10(6-7-12(11)16)13(15)9-4-2-1-3-5-9/h1-8,13H
InChIKeyPEFMDBLWDQNPMV-UHFFFAOYSA-N
XLogP5.59
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 ≤ 55.59
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-bromo-4-[bromo-(4-methylphenyl)methyl]-1-chlorobenzene
CID 107991616
2-bromo-4-[bromo-(4-fluorophenyl)methyl]-1-chlorobenzene
CID 107991605
2-bromo-4-[bromo-[4-(2-methylpropyl)phenyl]methyl]-1-chlorobenzene
CID 107991588
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
CID 83230882
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
1-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-2-chlorobenzene
CID 81307063
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene (CID 107991611) is 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene is Clc1ccc(C(Br)c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene?
The InChIKey is PEFMDBLWDQNPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl/c14-11-8-10(6-7-12(11)16)13(15)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene?
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene has a molecular weight of 360.48 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene is sourced from PubChem (CID 107991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).