Basic information
- CAS
184706-41-0- Standard SMILES
N#CC(C#N)=Cc1cccc(I)c1- InChIKey
MGMFROLPGFJKIK-UHFFFAOYSA-N- Molecular formula
- C10H5IN2
- Average molar mass
- 280.06 g/mol
- Monoisotopic mass
- 279.94975
Names & identifiers
- Preferred name
- 2-[(3-Iodophenyl)methylidene]propanedinitrile
- IUPAC
- 2-[(3-iodophenyl)methylidene]propanedinitrile
Names & synonyms
184706-41-02-[(3-Iodophenyl)methylene]propanedinitrile2-[(3-iodophenyl)methylidene]propanedinitrile(3-iodobenzylidene)malononitrileDTXSID401262342[(3-Iodophenyl)methylidene]propanedinitrile
Database identifiers
- CAS
184706-41-0- PubChem CID
- 794497
- DTXSID
DTXSID401262342
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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