7-Bromo-8-fluoro-3,4-dihydro-2H-benzo-[1,4]-dioxepine

HCID 89622006
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Basic information

Standard SMILES
Fc1cc2c(cc1Br)COCCO2
InChIKey
VKOHXKLPCLXBOS-UHFFFAOYSA-N
Molecular formula
C9H8BrFO2
Average molar mass
247.06 g/mol

Names & identifiers

Preferred name
7-Bromo-8-fluoro-3,4-dihydro-2H-benzo-[1,4]-dioxepine
IUPAC
7-bromo-8-fluoro-3,5-dihydro-2H-1,4-benzodioxepine

Names & synonyms

SCHEMBL15022536VKOHXKLPCLXBOS-UHFFFAOYSA-N7-Bromo-8-fluoro-3,4-dihydro-2H-benzo-[1,4]-dioxepine

Database identifiers

PubChem CID
89622006

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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