Basic information
- Standard SMILES
CC(C)(C#N)c1coc2cc(I)ccc12- InChIKey
WXKNOOXXAOMNMN-UHFFFAOYSA-N- Molecular formula
- C12H10INO
- Average molar mass
- 311.12 g/mol
- Monoisotopic mass
- 310.98071
Names & identifiers
- Preferred name
- 2-(6-Iodo-benzofuran-3-yl)-2-methyl-propionitrile
- IUPAC
- 2-(6-iodo-1-benzofuran-3-yl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL2228567WXKNOOXXAOMNMN-UHFFFAOYSA-N2-(6-iodo-benzofuran-3-yl)-2-methyl-propionitrile
Database identifiers
- PubChem CID
- 67325819
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
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