Structure Info
- Chemspace ID
- CSMB00010205896 (Enamine MADE)
- CAS
- 1199782-67-6
- MFCD
- MFCD09744050
- IUPAC Name
- 5-bromo-3,4-dihydro-2H-1-benzopyran-4-one
- Mol formula
- C9H7BrO2
- Mol weight
- 227 Da
- Catalog Number(s)
- 134102, A141105, A154179, A449041694, AA000PV5, AA33421, AC014515, AG-15493, AG000PXX, AI33421, AOS000PXX, AR000QMX, BB4LS-BD302184, BBV-40268592, BD302184, CD11333572, CM248129, CS-0041905, CSC010205896, D512750, DS-8120, F497641, FCH1392485, HY-W022673, I11474, I11474-0.25G, JH85715, LAN-B33680, LN02185198, LQT-B33743, R858404, S87415, SAB-111271, SC-86342, ZXB78267, ZXC284157
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.08
- Heavy atoms count
- 12
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010205896
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