1,2-dibromo-4-(2,6-dibromophenyl)benzene

C12H6Br4 — CID 90479486

IUPAC1,2-dibromo-4-(2,6-dibromophenyl)benzene
SMILESBrc1ccc(-c2c(Br)cccc2Br)cc1Br
InChIInChI=1S/C12H6Br4/c13-8-5-4-7(6-11(8)16)12-9(14)2-1-3-10(12)15/h1-6H
InChIKeyANKBNVRAODQPRE-UHFFFAOYSA-N
MW469.80 g/mol
LogP6.40
Rot. Bonds1

About 1,2-dibromo-4-(2,6-dibromophenyl)benzene

1,2-dibromo-4-(2,6-dibromophenyl)benzene (PubChem CID 90479486) has the molecular formula C12H6Br4 and a molecular weight of 469.80 g/mol. Its IUPAC name is 1,2-dibromo-4-(2,6-dibromophenyl)benzene.

Molecular Properties

Compound Name1,2-dibromo-4-(2,6-dibromophenyl)benzene
PubChem CID90479486
Molecular FormulaC12H6Br4
Molecular Weight469.80 g/mol
Exact Mass465.72
IUPAC Name1,2-dibromo-4-(2,6-dibromophenyl)benzene
SMILESBrc1ccc(-c2c(Br)cccc2Br)cc1Br
InChIInChI=1S/C12H6Br4/c13-8-5-4-7(6-11(8)16)12-9(14)2-1-3-10(12)15/h1-6H
InChIKeyANKBNVRAODQPRE-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(2,6-dibromophenyl)benzene?
The IUPAC name of 1,2-dibromo-4-(2,6-dibromophenyl)benzene (CID 90479486) is 1,2-dibromo-4-(2,6-dibromophenyl)benzene.
What is the SMILES notation for 1,2-dibromo-4-(2,6-dibromophenyl)benzene?
The canonical SMILES for 1,2-dibromo-4-(2,6-dibromophenyl)benzene is Brc1ccc(-c2c(Br)cccc2Br)cc1Br.
What is the InChIKey of 1,2-dibromo-4-(2,6-dibromophenyl)benzene?
The InChIKey is ANKBNVRAODQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4/c13-8-5-4-7(6-11(8)16)12-9(14)2-1-3-10(12)15/h1-6H.
What are the key properties of 1,2-dibromo-4-(2,6-dibromophenyl)benzene?
1,2-dibromo-4-(2,6-dibromophenyl)benzene has a molecular weight of 469.80 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4-(2,6-dibromophenyl)benzene is sourced from PubChem (CID 90479486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).