Basic information
- Standard SMILES
CC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F- InChIKey
AQSMNULTDSMPFG-UHFFFAOYSA-N- Molecular formula
- C12H12F2O4
- Average molar mass
- 258.22 g/mol
Names & identifiers
- Preferred name
- Carbonic acid tert-butyl ester 2,4-difluoro-3-formyl-phenyl ester
- IUPAC
- tert-butyl (2,4-difluoro-3-formylphenyl) carbonate
Names & synonyms
SCHEMBL411674AQSMNULTDSMPFG-UHFFFAOYSA-Ncarbonic acid tert-butyl ester 2,4-difluoro-3 formyl-phenyl estercarbonic acid tert-butyl ester 2,4-difluoro-3-formyl-phenyl estercarbonic acid tert-butyl ester 2,4-difluoro-3formyl-phenyl ester
Database identifiers
- PubChem CID
- 58086191
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
8 records
Compound notes
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