Basic information
- CAS
26490-99-3- Standard SMILES
CC(=O)n1cc(O)c2cc(I)ccc21- InChIKey
UVLGKRYWTYDENO-UHFFFAOYSA-N- Molecular formula
- C10H8INO2
- Average molar mass
- 301.08 g/mol
- Monoisotopic mass
- 300.95998
Names & identifiers
- Preferred name
- 1-(3-Hydroxy-5-iodo-1h-indol-1-yl)ethanone
- IUPAC
- 1-(3-hydroxy-5-iodoindol-1-yl)ethanone
Names & synonyms
1-(3-hydroxy-5-iodo-1h-indol-1-yl)ethanone26490-99-31-(3-hydroxy-5-iodo-1H-indol-1-yl)ethan-1-oneNSC 103711NSC103711Ethanone,1-(3-hydroxy-5-iodo-1H-indol-1-yl)-SCHEMBL6378148DTXSID20295658NSC-103711DS-010885
Database identifiers
- CAS
26490-99-3- PubChem CID
- 266290
- DTXSID
DTXSID20295658
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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