N-(2-iodophenyl)-3-nitrobenzamide
Basic information
- CAS
326898-56-0- Standard SMILES
O=C(Nc1ccccc1I)c1cccc([N+](=O)[O-])c1- InChIKey
URQMQMXSAINNQV-UHFFFAOYSA-N- Molecular formula
- C13H9IN2O3
- Average molar mass
- 368.13 g/mol
- Monoisotopic mass
- 367.96579
Names & identifiers
- Preferred name
- N-(2-iodophenyl)-3-nitrobenzamide
- IUPAC
- N-(2-iodophenyl)-3-nitrobenzamide
- English name
- N-(2-iodophenyl)-3-nitrobenzamide
- Molecular formula
- C13H9IN2O3
- Molecular weight
- 368.13
Names & synonyms
N-(2-iodophenyl)-3-nitrobenzamide5352-78-3DTXSID20362470RefChem:360832DTXCID30313519ZINC1230625ZINC01230625Cambridge id 5352783MFCD00783641N(2IODOPHENYL)3NITROBENZAMIDESTK093102AKOS001485341
Show more names
Benzamide, N-(2-iodophenyl)-3-nitro-
ST010718ZINC000001230625N-(2-iodophenyl)(3-nitrophenyl)carboxamideO=C(c1cccc(c1)(N+)(=O)(O))Nc1ccccc1IN(2IODOPHENYL)(3NITROPHENYL)CARBOXAMIDEAB00082375-01SR-01000406827SR-01000406827-1
Database identifiers
- CAS
326898-56-0、5352-78-3- PubChem CID
- 1379239
- DTXSID
DTXSID20362470- EC Number
- 169-470-3
- Nikkaji
- J2.380.795E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 380.3 · 380.3±27.0 °C(Predicted)
- Density
- 1.82 · 1.820±0.06 g/cm3(Predicted)
- pka
- 11.74 · 11.74±0.70(Predicted)
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Related reactions
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Compound notes
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