Basic information
- Standard SMILES
CCOC(=O)COc1ccc(OCCc2ccc(Br)s2)cc1C- InChIKey
BCZPBXNFVYURIJ-UHFFFAOYSA-N- Molecular formula
- C17H19BrO4S
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- Ethyl{4-[2-(5-bromothien-2-yl)ethoxy]-2-methylphenoxy}acetate
- IUPAC
- ethyl 2-[4-[2-(5-bromothiophen-2-yl)ethoxy]-2-methylphenoxy]acetate
Names & synonyms
BCZPBXNFVYURIJ-UHFFFAOYSA-Nethyl{4-[2-(5-bromothien-2-yl)ethoxy]-2-methylphenoxy}acetate
Database identifiers
- PubChem CID
- 21986453
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
1 records
Compound notes
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