Structure Info
- Chemspace ID
- CSMB00009814030 (Enamine MADE)
- MFCD
- MFCD00189377
- IUPAC Name
- 2-bromocyclohexa-2,5-diene-1,4-dione
- Mol formula
- C6H3BrO2
- Mol weight
- 187 Da
- Catalog Number(s)
- 3958-82-5, 5190AB, A490019834, AA003GJ9, AB61297, ACDS-045956, ACM3958825, ACM3958825-1, ACM39588251, AG003GM1, AG111424, AJ61297, AOS003GM1, AS-76478, ArZ-UP140834, B1601, B509590, BBV-39689953, BD71435, CD13013951, CS-0320150, CSC009814030, D748026, F240391, FB61910, FCH1118072, HY-W274973, JH681100, LN00201321, LP078339, SAB-035945, T70875, T70875-0.25G, ZXC109957
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.58
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 34
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00009814030
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