Structure Info
- Chemspace ID
- CSMB00010214548 (Enamine MADE)
- CAS
- 1199783-02-2
- MFCD
- MFCD09908166, MFCD22561554
- IUPAC Name
- 7-bromo-5-hydroxy-2,3-dihydro-1H-inden-1-one
- Mol formula
- C9H7BrO2
- Mol weight
- 227 Da
- Catalog Number(s)
- A079000866, A663866, AA01SLR0, AG-B36365, AG01SLTS, AR01SMIS, BB4LS-BD00762913, BBV-40271496, BD00762913, BE14072, BM14072, CS-0254659, CSC010214548, E82577, F668069, FCH1395389, HY-W190983, LAN-B64902, NFC02620, OR84865, W164276, WLZ3273, Y1244231, Y1467637, ZXC180801, ZXC380197
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.3
- Heavy atoms count
- 12
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010214548
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