Basic information
- Standard SMILES
CS(=O)(=O)OCCCCc1ccc([N+](=O)[O-])cc1- InChIKey
LXFOQDLDXLCQAI-UHFFFAOYSA-N- Molecular formula
- C11H15NO5S
- Average molar mass
- 273.31 g/mol
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)butyl methanesulfonate
- IUPAC
- 4-(4-nitrophenyl)butyl methanesulfonate
Names & synonyms
SCHEMBL5391363LXFOQDLDXLCQAI-UHFFFAOYSA-N4-(4-nitrophenyl)butyl methanesulfonate4-(4-nitrophenyl)-1-butyl methanesulfonate
Database identifiers
- PubChem CID
- 14729532
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
6 records
Compound notes
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