2-(4-{[(4-Methylphenyl)sulfonyl]oxy}phenyl)-2-oxoethyl 4-bromobenzoate
Basic information
- CAS
690222-01-6- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Br)cc3)cc2)cc1- InChIKey
OGYDIJDUAWTZJE-UHFFFAOYSA-N- Molecular formula
- C22H17BrO6S
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 487.99292
Names & identifiers
- Preferred name
- 2-(4-{[(4-Methylphenyl)sulfonyl]oxy}phenyl)-2-oxoethyl 4-bromobenzoate
- IUPAC
- [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-bromobenzoate
Names & synonyms
690222-01-62-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-oxoethyl 4-bromobenzoate2-[4-[[(4-Methylphenyl)sulfonyl]oxy]phenyl]-2-oxoethyl 4-bromobenzoateDTXSID001153381[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 4-bromobenzoateSTK264966AKOS003340160ST50876117AK-918/432103622-{4-[(4-Methylbenzene-1-sulfonyl)oxy]phenyl}-2-oxoethyl 4-bromobenzoate2-{4-[(4-methylphenyl)sulfonyloxy]phenyl}-2-oxoethyl 4-bromobenzoate
Database identifiers
- CAS
690222-01-6- PubChem CID
- 3822263
- DTXSID
DTXSID001153381
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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