Basic information
- Standard SMILES
Cc1nc(Br)n(S(C)(=O)=O)c1C(=O)OC(C)C- InChIKey
RDATXXNRFUCFOX-UHFFFAOYSA-N- Molecular formula
- C9H13BrN2O4S
- Average molar mass
- 325.18 g/mol
- Monoisotopic mass
- 323.97794
Names & identifiers
- Preferred name
- isopropyl N-methylsulfonyl-2-bromo-4-methyl-5-imidazolecarboxylate
- IUPAC
- propan-2-yl 2-bromo-5-methyl-3-methylsulfonylimidazole-4-carboxylate
Names & synonyms
SCHEMBL10853035RDATXXNRFUCFOX-UHFFFAOYSA-Nisopropyl N-methylsulfonyl-2-bromo-4-methyl-5-imidazolecarboxylate
Database identifiers
- PubChem CID
- 70456232
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
Related reactions
2 records
Compound notes
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