Basic information
- CAS
951796-75-1- Standard SMILES
COc1ccc(F)c2c1OCOC2- InChIKey
KQBYDVKTYNRUOL-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357231
Names & identifiers
- Preferred name
- 4H-1,3-Benzodioxin, 5-fluoro-8-methoxy-
- IUPAC
- 5-fluoro-8-methoxy-4H-1,3-benzodioxine
Names & synonyms
4H-1,3-Benzodioxin, 5-fluoro-8-methoxy-951796-75-1SCHEMBL1620324KQBYDVKTYNRUOL-UHFFFAOYSA-NDTXSID3012791345-fluoro-8-methoxy-4H-benzo[1,3]dioxine5-Fluoro-8-methoxy-2H,4H-1,3-benzodioxine
Database identifiers
- CAS
951796-75-1- PubChem CID
- 59517458
- DTXSID
DTXSID301279134
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
6 records
Compound notes
Loading…