1,1-Dimethylethyl 2-iodo-1H-indole-1-acetate
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Basic information
- CAS
206196-82-9- Standard SMILES
CC(C)(C)OC(=O)Cn1c(I)cc2ccccc21- InChIKey
JAULUXXPCQASKI-UHFFFAOYSA-N- Molecular formula
- C14H16INO2
- Average molar mass
- 357.19 g/mol
- Monoisotopic mass
- 357.02258
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 2-iodo-1H-indole-1-acetate
- IUPAC
- tert-butyl 2-(2-iodoindol-1-yl)acetate
- English name
- 1H-Indole-1-acetic acid, 2-iodo-, 1,1-diMethylethyl ester
- Molecular formula
- C14H16INO2
- Molecular weight
- 357.19
Names & synonyms
206196-82-91,1-Dimethylethyl 2-iodo-1H-indole-1-acetateRefChem:2138601H-Indole-1-acetic acid, 2-iodo-, 1,1-dimethylethyl esterTERT-BUTYL 2-(2-IODOINDOL-1-YL)ACETATE1h-indole-1-acetic acid,2-iodo-,1,1-dimethylethyl esterDTXSID101258576tert-Butyl (2-iodo-1H-indol-1-yl)acetateF183061H-Indole-1-aceticacid,2-iodo-,1,1-dimethylethylester
Database identifiers
- CAS
206196-82-9- PubChem CID
- 74788366
- DTXSID
DTXSID101258576
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
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Compound notes
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