1-(4-bromophenyl)-2,4-dichlorobenzene

C12H7BrCl2 — CID 83666993

IUPAC1-(4-bromophenyl)-2,4-dichlorobenzene
SMILESClc1ccc(-c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C12H7BrCl2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
InChIKeyYQOCVEGGDXXGOZ-UHFFFAOYSA-N
MW302.00 g/mol
LogP5.42
Rot. Bonds1

About 1-(4-bromophenyl)-2,4-dichlorobenzene

1-(4-bromophenyl)-2,4-dichlorobenzene (PubChem CID 83666993) has the molecular formula C12H7BrCl2 and a molecular weight of 302.00 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4-dichlorobenzene
PubChem CID83666993
Molecular FormulaC12H7BrCl2
Molecular Weight302.00 g/mol
Exact Mass299.91
IUPAC Name1-(4-bromophenyl)-2,4-dichlorobenzene
SMILESClc1ccc(-c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C12H7BrCl2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
InChIKeyYQOCVEGGDXXGOZ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.00
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4-dichlorobenzene?
The IUPAC name of 1-(4-bromophenyl)-2,4-dichlorobenzene (CID 83666993) is 1-(4-bromophenyl)-2,4-dichlorobenzene.
What is the SMILES notation for 1-(4-bromophenyl)-2,4-dichlorobenzene?
The canonical SMILES for 1-(4-bromophenyl)-2,4-dichlorobenzene is Clc1ccc(-c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-2,4-dichlorobenzene?
The InChIKey is YQOCVEGGDXXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H.
What are the key properties of 1-(4-bromophenyl)-2,4-dichlorobenzene?
1-(4-bromophenyl)-2,4-dichlorobenzene has a molecular weight of 302.00 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4-dichlorobenzene is sourced from PubChem (CID 83666993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).