Structure Info
- Chemspace ID
- CSSB00000234942 (In-Stock Building Blocks)
- CAS
- 923121-94-2, 854828-86-7, 878217-69-7
- MFCD
- MFCD08444228
- IUPAC Name
- 2-bromo-N-(4-fluorophenyl)-3-methylbutanamide
- Mol formula
- C11H13BrFNO
- Mol weight
- 274 Da
- Catalog Number(s)
- A1078982, BBV-38780972, BD00966934, CS-0241973, CSC000234942, EN300-24245, HY-W180890, LN04653782, PB169995294, PB212140462, Y4019376, Z169917826, Z212062994, s_22_57721_21466854, s_22____57721____21466854
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.53
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 29
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00000234942
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