1-Iodo-4-nitrosobenzene
Basic information
- CAS
13125-93-4- Standard SMILES
O=Nc1ccc(I)cc1- InChIKey
OORNJEMTTOSEKE-UHFFFAOYSA-N- Molecular formula
- C6H4INO
- Average molar mass
- 233.01 g/mol
- Monoisotopic mass
- 232.93376
Names & identifiers
- Preferred name
- 1-Iodo-4-nitrosobenzene
- IUPAC
- 1-iodo-4-nitrosobenzene
Names & synonyms
1-Iodo-4-nitrosobenzenep-iodonitrosobenzene13125-93-44-Jod-nitrosobenzolSCHEMBL13181134DTXSID80349222InChI=1/C6H4INO/c7-5-1-3-6(8-9)4-2-5/h1-4
Database identifiers
- CAS
13125-93-4- PubChem CID
- 643580
- DTXSID
DTXSID80349222- Nikkaji
- J709.643G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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