1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene

C14H10BrCl3 — CID 113403140

IUPAC1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
SMILESClc1ccccc1CC(Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C14H10BrCl3/c15-11-6-3-5-10(14(11)18)13(17)8-9-4-1-2-7-12(9)16/h1-7,13H,8H2
InChIKeyIDYFSLJVHUBNFX-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.28
Rot. Bonds3

About 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene

1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene (PubChem CID 113403140) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
PubChem CID113403140
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
SMILESClc1ccccc1CC(Cl)c1cccc(Br)c1Cl
InChIInChI=1S/C14H10BrCl3/c15-11-6-3-5-10(14(11)18)13(17)8-9-4-1-2-7-12(9)16/h1-7,13H,8H2
InChIKeyIDYFSLJVHUBNFX-UHFFFAOYSA-N
XLogP6.28
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 ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The IUPAC name of 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene (CID 113403140) is 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene is Clc1ccccc1CC(Cl)c1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
The InChIKey is IDYFSLJVHUBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c15-11-6-3-5-10(14(11)18)13(17)8-9-4-1-2-7-12(9)16/h1-7,13H,8H2.
What are the key properties of 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene?
1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene has a molecular weight of 364.50 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-[1-chloro-2-(2-chlorophenyl)ethyl]benzene is sourced from PubChem (CID 113403140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).