Basic information
- CAS
192137-08-9- Standard SMILES
O=[N+]([O-])c1cc(CI)cc([N+](=O)[O-])c1- InChIKey
IMINZNDLTTVURA-UHFFFAOYSA-N- Molecular formula
- C7H5IN2O4
- Average molar mass
- 308.03 g/mol
- Monoisotopic mass
- 307.92940464
Names & identifiers
- Preferred name
- 1-(Iodomethyl)-3,5-dinitrobenzene
- IUPAC
- 1-(iodomethyl)-3,5-dinitrobenzene
Names & synonyms
1-(Iodomethyl)-3,5-dinitrobenzene192137-08-9DTXSID90626899RefChem:226737DTXCID105776523,5-dinitrobenzyl iodideSCHEMBL3852248IMINZNDLTTVURA-UHFFFAOYSA-N
Database identifiers
- CAS
192137-08-9- PubChem CID
- 22609073
- DTXSID
DTXSID90626899
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Related reactions
6 records
Compound notes
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