Basic information
- CAS
36472-19-2- Standard SMILES
CCOc1c(Br)cccc1OC(=O)c1cccs1- InChIKey
JQMNQNPRNYINRH-UHFFFAOYSA-N- Molecular formula
- C13H11BrO3S
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 325.96123
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, bromo-2-ethoxyphenyl ester
- IUPAC
- (3-bromo-2-ethoxyphenyl) thiophene-2-carboxylate
Names & synonyms
alpha-Thenoate bromoguetolBromo-2-ethoxyphenyl 2-thiophenecarboxylatealpha-Thenoate bromoguetol [French]2-Thiophenecarboxylic acid, bromo-2-ethoxyphenyl ester36472-19-2DTXSID80189983RefChem:267368DTXCID401124743-bromo-2-ethoxyphenyl thiophene-2-carboxylate
Database identifiers
- CAS
36472-19-2- PubChem CID
- 215853
- DTXSID
DTXSID80189983
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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