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

C14H10BrCl3 — CID 63445154

IUPAC4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(C(Br)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3/c15-11(7-10-3-1-2-4-12(10)16)9-5-6-13(17)14(18)8-9/h1-6,8,11H,7H2
InChIKeyVUXSUCJOHCOVNN-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.33
Rot. Bonds3

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

4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene (PubChem CID 63445154) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
PubChem CID63445154
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene
SMILESClc1ccc(C(Br)Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3/c15-11(7-10-3-1-2-4-12(10)16)9-5-6-13(17)14(18)8-9/h1-6,8,11H,7H2
InChIKeyVUXSUCJOHCOVNN-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.33
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

1-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-2-chlorobenzene
CID 81307609
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
1-[1-bromo-2-(2-chlorophenyl)ethyl]-4-chlorobenzene
CID 63437373
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
6-[1-bromo-2-(2-chlorophenyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 61097559
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-difluorobenzene
CID 63543762
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The IUPAC name of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene (CID 63445154) is 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene is Clc1ccc(C(Br)Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene?
The InChIKey is VUXSUCJOHCOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c15-11(7-10-3-1-2-4-12(10)16)9-5-6-13(17)14(18)8-9/h1-6,8,11H,7H2.
What are the key properties of 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene?
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene has a molecular weight of 364.50 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(2-chlorophenyl)ethyl]-1,2-dichlorobenzene is sourced from PubChem (CID 63445154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).