Basic information
- Standard SMILES
CCOC(=O)c1nc(S(C)(=O)=O)nc(CC)c1Br- InChIKey
BCQZDXJVHVINJM-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O4S
- Average molar mass
- 337.19 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-bromo-6-ethyl-2-methylsulfonylpyrimidine-4-carboxylate
Names & synonyms
SCHEMBL7449175BCQZDXJVHVINJM-UHFFFAOYSA-Nethyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 70095773
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
Related reactions
2 records
Compound notes
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