Basic information
- CAS
19587-91-8- Standard SMILES
C=C(C)COc1c(C)c(C)c(OS(=O)(=O)c2ccc(Br)cc2)c(C)c1C- InChIKey
XARQCPHQSBQDAJ-UHFFFAOYSA-N- Molecular formula
- C20H23BrO4S
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 438.05004
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethyl-4-[(2-methylprop-2-en-1-yl)oxy]phenyl 4-bromobenzene-1-sulfonate
- IUPAC
- [2,3,5,6-tetramethyl-4-(2-methylprop-2-enoxy)phenyl] 4-bromobenzenesulfonate
Names & synonyms
19587-91-8NSC171657DTXSID50305779NSC-1716572,3,5,6-Tetramethyl-4-[(2-methylprop-2-en-1-yl)oxy]phenyl 4-bromobenzene-1-sulfonate
Database identifiers
- CAS
19587-91-8- PubChem CID
- 299189
- DTXSID
DTXSID50305779
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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