Basic information
- Standard SMILES
CC(N)c1ccc(I)cc1[N+](=O)[O-]- InChIKey
JNNXEIRYDNIWPX-UHFFFAOYSA-N- Molecular formula
- C8H9IN2O2
- Average molar mass
- 292.07 g/mol
- Monoisotopic mass
- 291.97088
Names & identifiers
- Preferred name
- 1-(4-Iodo-2-nitrophenyl)ethylamine
- IUPAC
- 1-(4-iodo-2-nitrophenyl)ethanamine
Names & synonyms
SCHEMBL888171JNNXEIRYDNIWPX-UHFFFAOYSA-N1-(4-iodo-2-nitrophenyl)ethylamine
Database identifiers
- PubChem CID
- 66830968
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
4 records
Compound notes
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