1-bromo-4-(2-chlorophenyl)benzene

C12H8BrCl — CID 12939408

IUPAC1-bromo-4-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H8BrCl/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H
InChIKeyKHYAPLSEYCAKLD-UHFFFAOYSA-N
MW267.55 g/mol
LogP4.77
Rot. Bonds1

About 1-bromo-4-(2-chlorophenyl)benzene

1-bromo-4-(2-chlorophenyl)benzene (PubChem CID 12939408) has the molecular formula C12H8BrCl and a molecular weight of 267.55 g/mol. Its IUPAC name is 1-bromo-4-(2-chlorophenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-chlorophenyl)benzene
PubChem CID12939408
Molecular FormulaC12H8BrCl
Molecular Weight267.55 g/mol
Exact Mass265.95
IUPAC Name1-bromo-4-(2-chlorophenyl)benzene
SMILESClc1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C12H8BrCl/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H
InChIKeyKHYAPLSEYCAKLD-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chlorophenyl)benzene?
The IUPAC name of 1-bromo-4-(2-chlorophenyl)benzene (CID 12939408) is 1-bromo-4-(2-chlorophenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-chlorophenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-chlorophenyl)benzene is Clc1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-chlorophenyl)benzene?
The InChIKey is KHYAPLSEYCAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H.
What are the key properties of 1-bromo-4-(2-chlorophenyl)benzene?
1-bromo-4-(2-chlorophenyl)benzene has a molecular weight of 267.55 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chlorophenyl)benzene is sourced from PubChem (CID 12939408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).