2-Chloro-4-(5-fluoro-2-methoxyphenyl)pyrimidine
Basic information
- CAS
954237-04-8- Standard SMILES
COc1ccc(F)cc1-c1ccnc(Cl)n1- InChIKey
LJDYPDFYDYUVQU-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN2O
- Average molar mass
- 238.64 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-4-(5-fluoro-2-methoxyphenyl)pyrimidine
- IUPAC
- 2-chloro-4-(5-fluoro-2-methoxyphenyl)pyrimidine
- English name
- 2-Chloro-4-(5-fluoro-2-methoxy-phenyl)-pyrimidine
- Molecular formula
- C11H8ClFN2O
- Molecular weight
- 238.65
Names & synonyms
SCHEMBL3625797AKOS0175538362-Chloro-4-(5-fluoro-2-methoxy-phenyl)-pyrimidine
Database identifiers
- CAS
954237-04-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 372.9 · 372.9±27.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- -2.17 · -2.17±0.31(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…