Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCc1coc2cc(I)ccc12- InChIKey
FFKISCSLRIGDBX-UHFFFAOYSA-N- Molecular formula
- C15H18INO3
- Average molar mass
- 387.21 g/mol
Names & identifiers
- Preferred name
- Tert-butyl[2-(6-iodo-1-benzofuran-3-yl)ethyl]carbamate
- IUPAC
- tert-butyl N-[2-(6-iodo-1-benzofuran-3-yl)ethyl]carbamate
Names & synonyms
SCHEMBL12517024FFKISCSLRIGDBX-UHFFFAOYSA-NTert-butyl[2-(6-iodo-1-benzofuran-3-yl)ethyl]carbamate
Database identifiers
- PubChem CID
- 68304680
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
2 records
Compound notes
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