1,2,3-Triiodo-4-methyl-5-nitrobenzene
Basic information
- CAS
5411-52-9- Standard SMILES
Cc1c([N+](=O)[O-])cc(I)c(I)c1I- InChIKey
QLIAWQQDEBDNOF-UHFFFAOYSA-N- Molecular formula
- C7H4I3NO2
- Average molar mass
- 514.83 g/mol
- Monoisotopic mass
- 514.7376
Names & identifiers
- Preferred name
- 1,2,3-Triiodo-4-methyl-5-nitrobenzene
- IUPAC
- 1,2,3-triiodo-4-methyl-5-nitrobenzene
Names & synonyms
1,2,3-triiodo-4-methyl-5-nitrobenzene5411-52-9DTXSID50278994RefChem:214738DTXCID702301504,5,6-triiodo-2-nitrotolueneNSC10982NSC 10982NSC-10982
Database identifiers
- CAS
5411-52-9- PubChem CID
- 223369
- DTXSID
DTXSID50278994
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…