2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene

C13H7Br2Cl3 — CID 63445029

IUPAC2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H7Br2Cl3/c14-7-1-3-9(12(18)5-7)13(15)10-6-8(16)2-4-11(10)17/h1-6,13H
InChIKeyUASZCURXYXLOIS-UHFFFAOYSA-N
MW429.37 g/mol
LogP6.89
Rot. Bonds2

About 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene

2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene (PubChem CID 63445029) has the molecular formula C13H7Br2Cl3 and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
PubChem CID63445029
Molecular FormulaC13H7Br2Cl3
Molecular Weight429.37 g/mol
Exact Mass425.80
IUPAC Name2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(C(Br)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C13H7Br2Cl3/c14-7-1-3-9(12(18)5-7)13(15)10-6-8(16)2-4-11(10)17/h1-6,13H
InChIKeyUASZCURXYXLOIS-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 56.89
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-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050980
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
1-[bromo-(5-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477553
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene (CID 63445029) is 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene is Clc1ccc(Cl)c(C(Br)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene?
The InChIKey is UASZCURXYXLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2Cl3/c14-7-1-3-9(12(18)5-7)13(15)10-6-8(16)2-4-11(10)17/h1-6,13H.
What are the key properties of 2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene?
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene has a molecular weight of 429.37 g/mol, XLogP of 6.89, 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-2-chlorophenyl)methyl]-1,4-dichlorobenzene is sourced from PubChem (CID 63445029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).