Basic information
- Standard SMILES
CCOC(=O)c1cc(Br)sc1CC- InChIKey
JATIJJVWJZLONY-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2S
- Average molar mass
- 263.15 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-bromo-2-ethylthiophene-3-carboxylate
- IUPAC
- ethyl 5-bromo-2-ethylthiophene-3-carboxylate
Names & synonyms
SCHEMBL3109923JATIJJVWJZLONY-UHFFFAOYSA-Nethyl 5-bromo-2-ethylthiophene-3-carboxylate
Database identifiers
- PubChem CID
- 68515411
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
14 records
Compound notes
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