Basic information
- CAS
129855-22-7- Standard SMILES
C=C(CCc1ccccc1Br)S(=O)(=O)c1ccccc1- InChIKey
SYZYSELJNFJCJD-UHFFFAOYSA-N- Molecular formula
- C16H15BrO2S
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 349.99761
Names & identifiers
- Preferred name
- 1-[3-(Benzenesulfonyl)but-3-en-1-yl]-2-bromobenzene
- IUPAC
- 1-[3-(benzenesulfonyl)but-3-enyl]-2-bromobenzene
Names & synonyms
129855-22-71-[3-(Benzenesulfonyl)but-3-en-1-yl]-2-bromobenzeneDTXSID30564049
Database identifiers
- CAS
129855-22-7- PubChem CID
- 14789771
- DTXSID
DTXSID30564049
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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