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Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(c1)CC(CBr)O2- InChIKey
PLEDKOUBMKVPQZ-UHFFFAOYSA-N- Molecular formula
- C12H13BrO3
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 284.00481
Names & identifiers
- Preferred name
- Ethyl 2-bromomethyl-2,3-dihydrobenzofuran-5-carboxylate
- IUPAC
- ethyl 2-(bromomethyl)-2,3-dihydro-1-benzofuran-5-carboxylate
Names & synonyms
SCHEMBL10366695PLEDKOUBMKVPQZ-UHFFFAOYSA-NEthyl 2-bromomethyl-2,3-dihydrobenzofuran-5-carboxylate
Database identifiers
- PubChem CID
- 20163653
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
1 records
Compound notes
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