Basic information
- Standard SMILES
COc1cc(I)ccc1C#N- InChIKey
JIICJFZGXGZQNE-UHFFFAOYSA-N- Molecular formula
- C8H6INO
- Average molar mass
- 259.04 g/mol
Names & identifiers
- Preferred name
- 4-Iodo-2-methoxybenzonitrile
- IUPAC
- 4-iodo-2-methoxybenzonitrile
Names & synonyms
4-iodo-2-methoxybenzonitrile677777-44-5MFCD168730474-iodo-2-methoxy-benzonitrileSCHEMBL1642108JIICJFZGXGZQNE-UHFFFAOYSA-NAKOS005147318C90259
Database identifiers
- PubChem CID
- 50879192
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
8 records
Compound notes
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