Basic information
- Standard SMILES
CCOC(=O)c1ccc(CBr)o1- InChIKey
YDRFUQMSLPYQCI-UHFFFAOYSA-N- Molecular formula
- C8H9BrO3
- Average molar mass
- 233.06 g/mol
Names & identifiers
- Preferred name
- 5-Bromomethyl-2-furancarboxylic acid ethyl ester
- IUPAC
- ethyl 5-(bromomethyl)furan-2-carboxylate
Names & synonyms
ethyl 5-(bromomethyl)furan-2-carboxylate74675-71-15-bromomethyl-2-furancarboxylic acid ethyl esterSCHEMBL2181967ethyl 5-(bromomethyl)-2-furoateYDRFUQMSLPYQCI-UHFFFAOYSA-N2-ethoxycarbonyl-5-bromomethylfuranEthyl 5-bromomethyl-2-furancarboxylateDB-3194795-bromomethyl-furan-2-carboxylic acid ethyl ester5-[bromomethyl]-2-furancarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 13789529
- Nikkaji
- J32.135D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
8 records
Compound notes
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