Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Cl)cc1- InChIKey
REUCRRSQGZLIHS-UHFFFAOYSA-N- Molecular formula
- C15H19ClO3S
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0743433
Names & identifiers
- Preferred name
- 3-Cyclopentyl-2-(4-methansulfonyl-phenyl)-propionyl chloride
- IUPAC
- 3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl chloride
Names & synonyms
SCHEMBL2650823REUCRRSQGZLIHS-UHFFFAOYSA-N3-cyclopentyl-2-(4-methansulfonyl-phenyl)-propionyl chloride
Database identifiers
- PubChem CID
- 86602240
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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