7-Fluoro-1H-indole-2-carbaldehyde
Basic information
- CAS
1367930-66-2- Standard SMILES
O=Cc1cc2cccc(F)c2[nH]1- InChIKey
ARYLBYAEMRIVKS-UHFFFAOYSA-N- Molecular formula
- C9H6FNO
- Average molar mass
- 163.15 g/mol
- Monoisotopic mass
- 163.04334198
Names & identifiers
- Preferred name
- 7-Fluoro-1H-indole-2-carbaldehyde
- IUPAC
- 7-fluoro-1H-indole-2-carbaldehyde
- English name
- 7-Fluoro-1H-indole-2-carbaldehyde
- Molecular formula
- C9H6FNO
- Molecular weight
- 163.15
Names & synonyms
7-Fluoro-1H-indole-2-carbaldehyde1367930-66-2MFCD22068878SCHEMBL4282939DTXSID60743749SY116304CS-0334322O116531H-Indole-2-carboxaldehyde, 7-fluoro-
Database identifiers
- CAS
1367930-66-2- PubChem CID
- 70700970
- DTXSID
DTXSID60743749
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 342.4 · 342.4±22.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 13.6 · 13.60±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…