(r/s)-3-(2-Formyl-4-iodo-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc(I)cc2C=O)C1- InChIKey
PERFMCYAYLVKME-UHFFFAOYSA-N- Molecular formula
- C16H20INO4
- Average molar mass
- 417.24 g/mol
Names & identifiers
- Preferred name
- (r/s)-3-(2-Formyl-4-iodo-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(2-formyl-4-iodophenoxy)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL278899PERFMCYAYLVKME-UHFFFAOYSA-N(r/s)-3-(2-formyl-4-iodo-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57743241
Properties
Computed structural propertiesFilling in
- 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
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Related reactions
2 records
Compound notes
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