Structure Info
- Chemspace ID
- CSMB00011217628 (Enamine MADE)
- MFCD
- MFCD18804953, MFCD10035469
- IUPAC Name
- 2-(1,2-benzoxazol-3-yl)acetonitrile
- Mol formula
- C9H6N2O
- Mol weight
- 158 Da
- Catalog Number(s)
- BBV-44993468, CSC011217628, DCA59051, FCH1617753, JH313938
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.44
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011217628
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