Structure Info
- Chemspace ID
- CSMB00000036406 (Enamine MADE)
- CAS
- 114152-21-5
- MFCD
- MFCD00061219
- IUPAC Name
- 2-(2,3,6-trifluorophenyl)acetonitrile
- Mol formula
- C8H4F3N
- Mol weight
- 171 Da
- Catalog Number(s)
- 114152-21-5, 22188, 155240, 2359AA, A490701, AA000ALH, AA13633, AC031561, ACDS-052976, ACM114152215, ADB15337001, AG000AO9, AI13633, AOS000AO9, AR000BD9, AS-30438, BBV-38355729, BD30286, CD12178643, CM304377, CS-0160021, CSC000036406, D369931, D786182, D951006, EN300-1840428, F007698, FCH918008, FT104860, HY-W106136, IMED1742040247, JH615349, JH615353, LAN-B12830, LN00112193, LQT-B12859, PC7818L, SAB-008578, T895578, W162960
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.1
- 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
- CSMB00000036406
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