3-Ethyl-2-fluorophenyl pyrimidine-5-carboxylate
Basic information
- CAS
887408-39-1- Standard SMILES
CCc1cccc(OC(=O)c2cncnc2)c1F- InChIKey
HPQHEFDJGXBBKO-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O2
- Average molar mass
- 246.24 g/mol
- Monoisotopic mass
- 246.08045576
Names & identifiers
- Preferred name
- 3-Ethyl-2-fluorophenyl pyrimidine-5-carboxylate
- IUPAC
- (3-ethyl-2-fluorophenyl) pyrimidine-5-carboxylate
Names & synonyms
3-Ethyl-2-fluorophenyl pyrimidine-5-carboxylateDTXSID10695461
Database identifiers
- CAS
887408-39-1- PubChem CID
- 53404996
- DTXSID
DTXSID10695461
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…