Basic information
- Standard SMILES
BrCCCCCCOCCCCOc1ccccc1- InChIKey
PCMRXWXJAYQTSH-UHFFFAOYSA-N- Molecular formula
- C16H25BrO2
- Average molar mass
- 329.27 g/mol
- Monoisotopic mass
- 328.10379
Names & identifiers
- Preferred name
- [4-[(6-Bromohexyl)oxy]butoxy]benzene
- IUPAC
- 4-(6-bromohexoxy)butoxybenzene
Names & synonyms
SCHEMBL10390453PCMRXWXJAYQTSH-UHFFFAOYSA-N[4-[(6-Bromohexyl)oxy]butoxy]benzene
Database identifiers
- PubChem CID
- 23045263
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 182
Related reactions
2 records
Compound notes
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