Basic information
- CAS
697228-50-5- Standard SMILES
CCc1c(N)ccc(C#N)c1C(F)(F)F- InChIKey
ZBZCMARVAOVEKE-UHFFFAOYSA-N- Molecular formula
- C10H9F3N2
- Average molar mass
- 214.19 g/mol
Names & identifiers
- Preferred name
- 4-Amino-3-ethyl-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-amino-3-ethyl-2-(trifluoromethyl)benzonitrile
- English name
- Benzonitrile, 4-amino-3-ethyl-2-(trifluoromethyl)- (9CI)
- Molecular formula
- C10H9F3N2
- Molecular weight
- 214.19
Names & synonyms
697228-50-54-Amino-3-ethyl-2-(trifluoromethyl)benzonitrileBenzonitrile, 4-amino-3-ethyl-2-(trifluoromethyl)-SCHEMBL2968418ZBZCMARVAOVEKE-UHFFFAOYSA-NDB-274686Benzonitrile, 4-amino-3-ethyl-2-(trifluoromethyl)- (9CI)
Database identifiers
- CAS
697228-50-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 296.2 · 296.2±40.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 0.26 · 0.26±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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