Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2C=O)C1- InChIKey
QMBXPEUTHWKFNZ-UHFFFAOYSA-N- Molecular formula
- C16H20BrNO4
- Average molar mass
- 370.24 g/mol
Names & identifiers
- Preferred name
- (r/s)-3-(4-Bromo-2-formyl-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(4-bromo-2-formylphenoxy)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL279184QMBXPEUTHWKFNZ-UHFFFAOYSA-N(r/s)-3-(4-bromo-2-formyl-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57743437
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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