1-Iodo-4-isocyanobenzene
Basic information
- CAS
66885-67-4- Standard SMILES
[C-]#[N+]c1ccc(I)cc1- InChIKey
FAOVWAGYQZDYSS-UHFFFAOYSA-N- Molecular formula
- C7H4IN
- Average molar mass
- 229.02 g/mol
- Monoisotopic mass
- 228.93885
Names & identifiers
- Preferred name
- 1-Iodo-4-isocyanobenzene
- IUPAC
- 1-iodo-4-isocyanobenzene
Names & synonyms
1-Iodo-4-isocyanobenzene66885-67-4DTXSID70609685RefChem:231073DTXCID505604424-iodophenylisonitrile4-iodophenyl-isocyanideSCHEMBL1106601EN300-1177028
Database identifiers
- CAS
66885-67-4- PubChem CID
- 20767166
- DTXSID
DTXSID70609685- Nikkaji
- J781.362G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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