2,6,7-tribromodibenzofuran

C12H5Br3O — CID 526349

IUPAC2,6,7-tribromodibenzofuran
SMILESBrc1ccc2oc3c(Br)c(Br)ccc3c2c1
InChIInChI=1S/C12H5Br3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H
InChIKeyGBBHZWUDKSMEOG-UHFFFAOYSA-N
MW404.88 g/mol
LogP5.87
Rot. Bonds

About 2,6,7-tribromodibenzofuran

2,6,7-tribromodibenzofuran (PubChem CID 526349) has the molecular formula C12H5Br3O and a molecular weight of 404.88 g/mol. Its IUPAC name is 2,6,7-tribromodibenzofuran.

Molecular Properties

Compound Name2,6,7-tribromodibenzofuran
PubChem CID526349
Molecular FormulaC12H5Br3O
Molecular Weight404.88 g/mol
Exact Mass401.79
IUPAC Name2,6,7-tribromodibenzofuran
SMILESBrc1ccc2oc3c(Br)c(Br)ccc3c2c1
InChIInChI=1S/C12H5Br3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H
InChIKeyGBBHZWUDKSMEOG-UHFFFAOYSA-N
XLogP5.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.88
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-tribromodibenzofuran?
The IUPAC name of 2,6,7-tribromodibenzofuran (CID 526349) is 2,6,7-tribromodibenzofuran.
What is the SMILES notation for 2,6,7-tribromodibenzofuran?
The canonical SMILES for 2,6,7-tribromodibenzofuran is Brc1ccc2oc3c(Br)c(Br)ccc3c2c1.
What is the InChIKey of 2,6,7-tribromodibenzofuran?
The InChIKey is GBBHZWUDKSMEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H.
What are the key properties of 2,6,7-tribromodibenzofuran?
2,6,7-tribromodibenzofuran has a molecular weight of 404.88 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-tribromodibenzofuran is sourced from PubChem (CID 526349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).