1-bromo-4-(4-bromophenyl)benzene

C12H8Br2 — CID 7110

IUPAC1-bromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyHQJQYILBCQPYBI-UHFFFAOYSA-N
MW312.00 g/mol
LogP4.88
Rot. Bonds1

About 1-bromo-4-(4-bromophenyl)benzene

1-bromo-4-(4-bromophenyl)benzene (PubChem CID 7110) has the molecular formula C12H8Br2 and a molecular weight of 312.00 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromophenyl)benzene
PubChem CID7110
Molecular FormulaC12H8Br2
Molecular Weight312.00 g/mol
Exact Mass309.90
IUPAC Name1-bromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKeyHQJQYILBCQPYBI-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.00
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)benzene?
The IUPAC name of 1-bromo-4-(4-bromophenyl)benzene (CID 7110) is 1-bromo-4-(4-bromophenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-bromophenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-bromophenyl)benzene is Brc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-bromophenyl)benzene?
The InChIKey is HQJQYILBCQPYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H.
What are the key properties of 1-bromo-4-(4-bromophenyl)benzene?
1-bromo-4-(4-bromophenyl)benzene has a molecular weight of 312.00 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromophenyl)benzene is sourced from PubChem (CID 7110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).