Basic information
- Standard SMILES
CCOC(=O)/C=C(\CBr)Oc1cccc(F)c1F- InChIKey
CDACFLGXJURLAR-SOFGYWHQSA-N- Molecular formula
- C12H11BrF2O3
- Average molar mass
- 321.11 g/mol
Names & identifiers
- Preferred name
- (E)-4-bromo-3-(2,3-difluoro-phenoxy)-but-2-enoic acid ethyl ester
- IUPAC
- ethyl (E)-4-bromo-3-(2,3-difluorophenoxy)but-2-enoate
Names & synonyms
SCHEMBL1068771CDACFLGXJURLAR-SOFGYWHQSA-N(E)-4-bromo-3-(2,3-difluoro-phenoxy)-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 66895348
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
2 records
Compound notes
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