Basic information
- CAS
352335-45-6- Standard SMILES
N#CC1=C(N)Oc2cc(O)c(C=Nc3cc(C(F)(F)F)ccc3Cl)cc2C1c1cccc(F)c1- InChIKey
GNKVDWQOYOZFAA-UHFFFAOYSA-N- Molecular formula
- C24H14ClF4N3O2
- Average molar mass
- 487.8 g/mol
Names & identifiers
- Preferred name
- 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-4-(3-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-4-(3-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
- English name
- 2-amino-6-({[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl)-4-(3-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
- Molecular formula
- C24H14ClF4N3O2
- Molecular weight
- 487.83
Names & synonyms
AG-205/336450542-amino-6-({[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl)-4-(3-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
Database identifiers
- CAS
352335-45-6
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 857
Physicochemical properties
- Boiling point
- 656.502 · 656.502±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.466 · 1.466±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.147 · 7.147±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…