Basic information
- Standard SMILES
O=C1NCc2c(-c3cccs3)ccc(I)c21- InChIKey
ISMNACOJFJSJBE-UHFFFAOYSA-N- Molecular formula
- C12H8INOS
- Average molar mass
- 341.17 g/mol
- Monoisotopic mass
- 340.93713
Names & identifiers
- Preferred name
- 7-Iodo-4-(thiophen-2-yl)isoindolinone
- IUPAC
- 7-iodo-4-thiophen-2-yl-2,3-dihydroisoindol-1-one
Names & synonyms
SCHEMBL3048189ISMNACOJFJSJBE-UHFFFAOYSA-N7-iodo-4-(thiophen-2-yl)isoindolinone
Database identifiers
- PubChem CID
- 68492575
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Related reactions
1 records
Compound notes
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