1-[2-(2-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde
Basic information
- CAS
309732-86-3- Standard SMILES
O=Cc1cn(CCOc2ccccc2F)c2ccccc12- InChIKey
BGRFHHVVAOWQAA-UHFFFAOYSA-N- Molecular formula
- C17H14FNO2
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.10085685
Names & identifiers
- Preferred name
- 1-[2-(2-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde
- IUPAC
- 1-[2-(2-fluorophenoxy)ethyl]indole-3-carbaldehyde
- English name
- CHEMBRDG-BB 6081304
- Molecular formula
- C17H14FNO2
- Molecular weight
- 283.3
Names & synonyms
309732-86-31-[2-(2-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde1-[2-(2-fluorophenoxy)ethyl]indole-3-carbaldehyde1-(2-(2-Fluorophenoxy)ethyl)-1H-indole-3-carbaldehydeMFCD020496231H-Indole-3-carboxaldehyde, 1-[2-(2-fluorophenoxy)ethyl]-CBMicro_044636Cambridge id 6081304Oprea1_246789Oprea1_328366MLS001204461CHEMBL1413980
Show more names
CHEMBRDG-BB 60813041-[2-(2-fluorophenoxy)ethyl]-1H-indole-3-carbaldehyde(SALTDATA: FREE)
1-[2-(2-Fluoro-phenoxy)-ethyl]-1H-indole-3-carbaldehydeDTXSID20350170HMS2821J24BBL025710STK710386AKOS000430729SMR000516896ST053413
Database identifiers
- CAS
309732-86-3- PubChem CID
- 675069
- DTXSID
DTXSID20350170- ChEMBL
CHEMBL1413980
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility12.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 474 · 474.0±30.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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