Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(COc2ncc(Br)cn2)cc1- InChIKey
UGGQAXPVNGNABY-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O3S
- Average molar mass
- 343.2 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-2-[(4-methylsulfonylphenyl)methoxy]pyrimidine
- IUPAC
- 5-bromo-2-[(4-methylsulfonylphenyl)methoxy]pyrimidine
Database identifiers
- PubChem CID
- 60155368
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
2 records
Linked notes
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