Basic information
- Standard SMILES
CC(=O)OCCCCCCCCCCCBr- InChIKey
HETJRPQPDQODIY-UHFFFAOYSA-N- Molecular formula
- C13H25BrO2
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 292.10379
Names & identifiers
- Preferred name
- 11-Bromoundecyl acetate
- IUPAC
- 11-bromoundecyl acetate
Names & synonyms
11-bromoundecyl acetate1-acetoxy-11-bromoundecaneSCHEMBL1263888HETJRPQPDQODIY-UHFFFAOYSA-Nacetic acid 11-bromo-undecyl ester
Database identifiers
- PubChem CID
- 5016162
- Nikkaji
- J1.325.426E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Related reactions
3 records
Compound notes
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