Basic information
- CAS
113212-11-6- Standard SMILES
CCOC(=O)c1cn(C(C)c2c(F)cccc2F)cn1- InChIKey
UULGHKAHGMFKJD-UHFFFAOYSA-N- Molecular formula
- C14H14F2N2O2
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.10233402
Names & identifiers
- Preferred name
- Ethyl 1-[1-(2,6-difluorophenyl)ethyl]-1H-imidazole-4-carboxylate
- IUPAC
- ethyl 1-[1-(2,6-difluorophenyl)ethyl]imidazole-4-carboxylate
Names & synonyms
SCHEMBL10568392DTXSID801172872Ethyl 1-[1-(2,6-difluorophenyl)ethyl]-1H-imidazole-4-carboxylate113212-11-6
Database identifiers
- CAS
113212-11-6- PubChem CID
- 54372873
- DTXSID
DTXSID801172872
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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