3-(5-Bromo-2-ethylphenyl)bicyclo[3.2.2]non-6-ene-2,4-dione

HCID 68488334
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Basic information

Standard SMILES
CCc1ccc(Br)cc1C1C(=O)C2C=CC(CC2)C1=O
InChIKey
CSPQZVHHHXXXPP-UHFFFAOYSA-N
Molecular formula
C17H17BrO2
Average molar mass
333.2 g/mol

Names & identifiers

Preferred name
3-(5-Bromo-2-ethylphenyl)bicyclo[3.2.2]non-6-ene-2,4-dione
IUPAC
3-(5-bromo-2-ethylphenyl)bicyclo[3.2.2]non-6-ene-2,4-dione

Names & synonyms

SCHEMBL3036820CSPQZVHHHXXXPP-UHFFFAOYSA-N3-(5-bromo-2-ethylphenyl)bicyclo[3.2.2]non-6-ene-2,4-dione

Database identifiers

PubChem CID
68488334

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
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Compound notes

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