Basic information
- CAS
6491-01-6- Standard SMILES
O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1O- InChIKey
UNPVQOIEQQBGHB-UHFFFAOYSA-N- Molecular formula
- C13H9IN2O4
- Average molar mass
- 384.13 g/mol
- Monoisotopic mass
- 383.9607
Names & identifiers
- Preferred name
- 2-Hydroxy-n-(4-iodophenyl)-5-nitrobenzamide
- IUPAC
- 2-hydroxy-N-(4-iodophenyl)-5-nitrobenzamide
Names & synonyms
6491-01-62-hydroxy-n-(4-iodophenyl)-5-nitrobenzamideNSC27103DTXSID50983490Salicylanilide, 4'-iodo-5-nitro-NSC 27103NSC-27103Benzamide, 2-hydroxy-N-(4-iodophenyl)-5-nitro-
Database identifiers
- CAS
6491-01-6- PubChem CID
- 95282
- DTXSID
DTXSID50983490- Nikkaji
- J1.573.457D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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