Basic information
- Standard SMILES
CC1(COc2ccc(Br)cc2)COC(C)(C)O1- InChIKey
LVQTVSBGNQDRKU-UHFFFAOYSA-N- Molecular formula
- C13H17BrO3
- Average molar mass
- 301.18 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Bromophenoxy)methyl]-2,2,4-trimethyl-1,3-dioxolane
- IUPAC
- 4-[(4-bromophenoxy)methyl]-2,2,4-trimethyl-1,3-dioxolane
Names & synonyms
SCHEMBL14052979LVQTVSBGNQDRKU-UHFFFAOYSA-N4-[(4-bromophenoxy)methyl]-2,2,4-trimethyl-1,3-dioxolane1318735-05-5DB-123202
Database identifiers
- PubChem CID
- 71059331
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
6 records
Linked notes
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