6,7-dibromo-2,3-dihydro-1,4-benzodioxine

C8H6Br2O2 — CID 2754502

IUPAC6,7-dibromo-2,3-dihydro-1,4-benzodioxine
SMILESBrc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C8H6Br2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2
InChIKeyFTSJTAIEXFMURW-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.98
Rot. Bonds

About 6,7-dibromo-2,3-dihydro-1,4-benzodioxine

6,7-dibromo-2,3-dihydro-1,4-benzodioxine (PubChem CID 2754502) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 6,7-dibromo-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6,7-dibromo-2,3-dihydro-1,4-benzodioxine
PubChem CID2754502
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name6,7-dibromo-2,3-dihydro-1,4-benzodioxine
SMILESBrc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C8H6Br2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2
InChIKeyFTSJTAIEXFMURW-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dibromo-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6,7-dibromo-2,3-dihydro-1,4-benzodioxine (CID 2754502) is 6,7-dibromo-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6,7-dibromo-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6,7-dibromo-2,3-dihydro-1,4-benzodioxine is Brc1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6,7-dibromo-2,3-dihydro-1,4-benzodioxine?
The InChIKey is FTSJTAIEXFMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2H2.
What are the key properties of 6,7-dibromo-2,3-dihydro-1,4-benzodioxine?
6,7-dibromo-2,3-dihydro-1,4-benzodioxine has a molecular weight of 293.94 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromo-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 2754502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).