2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene

C14H9Br2Cl3 — CID 107993456

IUPAC2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
SMILESClc1ccc(CC(Br)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H9Br2Cl3/c15-10(9-2-4-12(17)11(16)7-9)5-8-1-3-13(18)14(19)6-8/h1-4,6-7,10H,5H2
InChIKeyHQWCIMMVQRDLDJ-UHFFFAOYSA-N
MW443.39 g/mol
LogP7.09
Rot. Bonds3

About 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene

2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene (PubChem CID 107993456) has the molecular formula C14H9Br2Cl3 and a molecular weight of 443.39 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
PubChem CID107993456
Molecular FormulaC14H9Br2Cl3
Molecular Weight443.39 g/mol
Exact Mass439.81
IUPAC Name2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
SMILESClc1ccc(CC(Br)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H9Br2Cl3/c15-10(9-2-4-12(17)11(16)7-9)5-8-1-3-13(18)14(19)6-8/h1-4,6-7,10H,5H2
InChIKeyHQWCIMMVQRDLDJ-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.39
LogP ≤ 57.09
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-[1-bromo-2-(4-bromophenyl)ethyl]-1-chlorobenzene
CID 107993393
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorobenzene
CID 81308421
2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
CID 63530606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene (CID 107993456) is 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene is Clc1ccc(CC(Br)c2ccc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene?
The InChIKey is HQWCIMMVQRDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl3/c15-10(9-2-4-12(17)11(16)7-9)5-8-1-3-13(18)14(19)6-8/h1-4,6-7,10H,5H2.
What are the key properties of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene?
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene has a molecular weight of 443.39 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene is sourced from PubChem (CID 107993456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).