Basic information
- Standard SMILES
N#Cc1ccc(CCCI)cc1- InChIKey
ALERGPWUQNJOTK-UHFFFAOYSA-N- Molecular formula
- C10H10IN
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 270.9858
Names & identifiers
- Preferred name
- 4-(3-Iodopropyl)benzonitrile
- IUPAC
- 4-(3-iodopropyl)benzonitrile
Names & synonyms
4-(3-iodopropyl)benzonitrile3-(4-cyanophenyl)propyliodideSCHEMBL57804473-(4-cyanophenyl)propyl iodideALERGPWUQNJOTK-UHFFFAOYSA-N118156-86-8DB-137268
Database identifiers
- PubChem CID
- 22390692
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
6 records
Compound notes
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