3,5-Diiodo-4-nitrophenol
Basic information
- CAS
6936-75-0- Standard SMILES
O=[N+]([O-])c1c(I)cc(O)cc1I- InChIKey
CLDJFXCAIWYRQM-UHFFFAOYSA-N- Molecular formula
- C6H3I2NO3
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.82024
Names & identifiers
- Preferred name
- 3,5-Diiodo-4-nitrophenol
- IUPAC
- 3,5-diiodo-4-nitrophenol
Names & synonyms
6936-75-03,5-diiodo-4-nitrophenolNSC19783SCHEMBL1905941DTXSID30281022NSC-19783
Database identifiers
- CAS
6936-75-0- PubChem CID
- 227763
- DTXSID
DTXSID30281022
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
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Related reactions
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Compound notes
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