Basic information
- CAS
108562-74-9- Standard SMILES
CCc1cccc2conc12- InChIKey
JFQYRMCCOOYXGW-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 2,1-Benzisoxazole, 7-ethyl-
- IUPAC
- 7-ethyl-2,1-benzoxazole
Names & synonyms
2,1-Benzisoxazole, 7-ethyl-108562-74-97-ethyl-2,1-benzoxazoleDTXSID00148592
Database identifiers
- CAS
108562-74-9- PubChem CID
- 183997
- DTXSID
DTXSID00148592
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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