Structure Info
- Chemspace ID
- CSMB00000727039 (Enamine MADE)
- CAS
- 1516081-14-3, 891028-86-7, 1551945-03-9
- MFCD
- MFCD28383744
- IUPAC Name
- 2-(3-bromo-2,6-difluorophenyl)acetonitrile
- Mol formula
- C8H4BrF2N
- Mol weight
- 232 Da
- Catalog Number(s)
- A851086, AR01B8YX, AW03357, ArZ-UP212520, BB4LS-EN300-200175, BBV-32406663, BD00849902, CS-0447212, CSC000727039, D556050, EN300-200175, G89527, H906208, PB1970075958, PC303447, RKC08114, Z1969998490, ZX-NM186700
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.72
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 24
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000727039
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