Basic information
- CAS
914347-97-0- Standard SMILES
CC(C)(C)OC(=O)n1cc(I)c2cccc(OCc3ccccc3)c21- InChIKey
ATFWYCKADKVAIS-UHFFFAOYSA-N- Molecular formula
- C20H20INO3
- Average molar mass
- 449.3 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-(benzyloxy)-3-iodo-1H-indole-1-carboxylate
- IUPAC
- tert-butyl 3-iodo-7-phenylmethoxyindole-1-carboxylate
- English name
- 7-Benzyloxy-3-iodoindole-1-carboxylic acid tert-butyl ester
- Molecular formula
- C20H20INO3
- Molecular weight
- 449.28
Names & synonyms
tert-Butyl 7-(benzyloxy)-3-iodo-1H-indole-1-carboxylate914347-97-0SCHEMBL184184897-BENZYLOXY-3-IODOINDOLE, N-BOC PROTECTED7-Benzyloxy-3-iodoindole-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
914347-97-0
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…