2,5-Diiodo-4-nitrophenyl methanesulfonate
Basic information
- CAS
5444-15-5- Standard SMILES
CS(=O)(=O)Oc1cc(I)c([N+](=O)[O-])cc1I- InChIKey
HPXTYPALWOGDII-UHFFFAOYSA-N- Molecular formula
- C7H5I2NO5S
- Average molar mass
- 468.99 g/mol
- Monoisotopic mass
- 468.79779
Names & identifiers
- Preferred name
- 2,5-Diiodo-4-nitrophenyl methanesulfonate
- IUPAC
- (2,5-diiodo-4-nitrophenyl) methanesulfonate
Names & synonyms
5444-15-52,5-diiodo-4-nitrophenyl methanesulfonateNSC19784DTXSID90281023NSC-19784DS-0084191,4-diiodo-2-methylsulfonyloxy-5-nitro-benzene
Database identifiers
- CAS
5444-15-5- PubChem CID
- 227764
- DTXSID
DTXSID90281023
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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