5-Fluorobenzofuran-4-carbonitrile
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Basic information
- CAS
1427446-97-6- Standard SMILES
N#Cc1c(F)ccc2occc12- InChIKey
CHOZNSNAPKIXKZ-UHFFFAOYSA-N- Molecular formula
- C9H4FNO
- Average molar mass
- 161.13 g/mol
Names & identifiers
- Preferred name
- 5-Fluorobenzofuran-4-carbonitrile
- IUPAC
- 5-fluoro-1-benzofuran-4-carbonitrile
- English name
- 5-fluorobenzofuran-4-carbonitrile
- Molecular formula
- C9H4FNO
- Molecular weight
- 161.13
Names & synonyms
5-fluorobenzofuran-4-carbonitrile1427446-97-65-fluoro-1-benzofuran-4-carbonitrileMFCD20259136SCHEMBL17841499SCHEMBL294737595-Fluoro-4-benzofurancarbonitrileCHOZNSNAPKIXKZ-UHFFFAOYSA-NSY520785WS-00886DB-139802CS-0132028
Show more names
EOS-616534-Benzofurancarbonitrile, 5-fluoro-
C91341
Database identifiers
- CAS
1427446-97-6
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 260.4 · 260.4±20.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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