3-Bromo-1-[(R)-4-methylbenzene-1-sulfinyl]butan-2-one
Basic information
- CAS
503830-53-3- Standard SMILES
Cc1ccc([S@](=O)CC(=O)C(C)Br)cc1- InChIKey
SNZYZWKFXKLMIM-NZDRZINCSA-N- Molecular formula
- C11H13BrO2S
- Average molar mass
- 289.19 g/mol
- Monoisotopic mass
- 287.98196
Names & identifiers
- Preferred name
- 3-Bromo-1-[(R)-4-methylbenzene-1-sulfinyl]butan-2-one
- IUPAC
- 3-bromo-1-[(R)-(4-methylphenyl)sulfinyl]butan-2-one
Names & synonyms
503830-53-33-Bromo-1-[(R)-4-methylbenzene-1-sulfinyl]butan-2-oneDTXSID10717793
Database identifiers
- CAS
503830-53-3- PubChem CID
- 56599604
- DTXSID
DTXSID10717793
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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