Basic information
- Standard SMILES
CCS(=O)(=O)c1cc(=O)c2cc(C(=O)OC)cc(Br)c2o1- InChIKey
XPOSPWHQDYLFFQ-UHFFFAOYSA-N- Molecular formula
- C13H11BrO6S
- Average molar mass
- 375.19 g/mol
- Monoisotopic mass
- 373.94597
Names & identifiers
- Preferred name
- methyl 8-bromo-2-(ethylsulfonyl)-4-oxo-4H-chromene-6-carboxylate
- IUPAC
- methyl 8-bromo-2-ethylsulfonyl-4-oxochromene-6-carboxylate
Names & synonyms
methyl 8-bromo-2-(ethylsulfonyl)-4-oxo-4H-chromene-6-carboxylate1296271-67-4SCHEMBL1638922XPOSPWHQDYLFFQ-UHFFFAOYSA-NDB-320073methyl 8-bromo-2-(ethyl sulfonyl)-4-oxo-4H-chromene-6-carboxylate
Database identifiers
- PubChem CID
- 58235035
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 576
Related reactions
6 records
Compound notes
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