Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)c1ccc(Br)cc1- InChIKey
GYMHWRXVCZDCAB-UHFFFAOYSA-N- Molecular formula
- C14H11BrO4S
- Average molar mass
- 355.21 g/mol
- Monoisotopic mass
- 353.95614
Names & identifiers
- Preferred name
- Methyl 2-[(4-bromophenyl)sulfonyl]benzoate
- IUPAC
- methyl 2-(4-bromophenyl)sulfonylbenzoate
Names & synonyms
SCHEMBL3157582GYMHWRXVCZDCAB-UHFFFAOYSA-NMethyl 2-[(4-bromophenyl)sulfonyl]benzoate
Database identifiers
- PubChem CID
- 21099525
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 435
Related reactions
8 records
Compound notes
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