Basic information
- CAS
108562-69-2- Standard SMILES
CCc1cccc2c(C)onc12- InChIKey
KFNIEDOAKIKWFM-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 2,1-Benzisoxazole, 7-ethyl-3-methyl-
- IUPAC
- 7-ethyl-3-methyl-2,1-benzoxazole
- English name
- 2,1-Benzisoxazole,7-ethyl-3-methyl-(9CI)
- Molecular formula
- C10H11NO
- Molecular weight
- 161.20044
Names & synonyms
2,1-Benzisoxazole, 7-ethyl-3-methyl-108562-69-2DTXSID80148590RefChem:80497DTXCID6071081KFNIEDOAKIKWFM-UHFFFAOYSA-N7-ethyl-3-methyl-2,1-benzoxazole2,1-Benzisoxazole,7-ethyl-3-methyl-(9CI)DB-280721
Database identifiers
- CAS
108562-69-2- PubChem CID
- 183992
- DTXSID
DTXSID80148590
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…