Basic information
- Standard SMILES
O=C(OC1CC(CO)C1CBr)c1ccccc1- InChIKey
ACRNCCIDAMZBQA-UHFFFAOYSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
Names & identifiers
- Preferred name
- 1-Benzoyloxy-2-bromomethyl-3-hydroxymethylcyclobutane
- IUPAC
- [2-(bromomethyl)-3-(hydroxymethyl)cyclobutyl] benzoate
Names & synonyms
SCHEMBL9470650ACRNCCIDAMZBQA-UHFFFAOYSA-N1-Benzoyloxy-2-bromomethyl-3-hydroxymethylcyclobutane
Database identifiers
- PubChem CID
- 19794249
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
3 records
Compound notes
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