Basic information
- Standard SMILES
BrCC1COC(c2ccccc2)OC1- InChIKey
BHBMKDJNSOSTJP-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2
- Average molar mass
- 257.12 g/mol
Names & identifiers
- Preferred name
- 5-Bromomethyl-2-phenyl-1,3-dioxane
- IUPAC
- 5-(bromomethyl)-2-phenyl-1,3-dioxane
Names & synonyms
BHBMKDJNSOSTJP-UHFFFAOYSA-N5-bromomethyl-2-phenyl-1,3-dioxane
Database identifiers
- PubChem CID
- 14835101
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Related reactions
4 records
Compound notes
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