1,3-Dibromo-dibenzofuran

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Basic information

CAS: 617707-24-1
Standard SMILES: Brc1cc(Br)c2c(c1)oc1ccccc12
InChIKey: HUMKRBJGRUACAP-UHFFFAOYSA-N
Molecular formula: C12H6Br2O
Average molar mass: 325.98 g/mol
Monoisotopic mass: 323.87854

Names & identifiers

Preferred name: 1,3-Dibromo-dibenzofuran
IUPAC: 1,3-dibromodibenzofuran
English name: 1,3-dibromodibenzofuran
Molecular formula: C12H6Br2O
Molecular weight: 325.98

Names & synonyms

617707-24-11,3-dibromo-dibenzofuranDTXSID60335643RefChem:218401DTXCID10286732HUMKRBJGRUACAP-UHFFFAOYSA-N1,3-dibromodibenzofuran1,3-Dibromodibenzo[b,d]furanDibenzofuran, 1,3-dibromo-SCHEMBL9450959MFCD22042747SY268966

Show more names

DB-311447

Database identifiers

CAS: 617707-24-1
PubChem CID: 526288
DTXSID: DTXSID60335643

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 246

Physicochemical properties

Boiling point: 391.4 · 391.4±22.0 °C(Predicted)
Density: 1.886 · 1.886±0.06 g/cm3(Predicted)

Related reactions

12 records

New reaction record

HRID 164964As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 654639As productuspto-grants-1992_07

HRID 654640As reactantuspto-grants-1992_07

HRID 802856As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1217612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1494275As productuspto-grants-1991_06

HRID 1494276As reactantuspto-grants-1991_06

HRID 1886702As productuspto-grants-1992_09

Compound notes

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