Basic information
- CAS
72699-06-0- Standard SMILES
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O- InChIKey
JFYGKHWLKQBUJI-UHFFFAOYSA-N- Molecular formula
- C13H7Br2ClN2O4
- Average molar mass
- 450.46 g/mol
- Monoisotopic mass
- 447.84611
Names & identifiers
- Preferred name
- Compound 78-265
- IUPAC
- 3,5-dibromo-N-(4-chloro-3-nitrophenyl)-2-hydroxybenzamide
- English name
- compound 78-265
- Molecular formula
- C13H7Br2ClN2O4
- Molecular weight
- 450.47
Names & synonyms
Compound 78-26572699-06-0DTXSID10222998RefChem:127648DTXCID401454893,5-dibromo-N-(4-chloro-3-nitrophenyl)-2-hydroxybenzamide3,5-Dibromo-N-(4-chloro-3-nitrophenyl)salicylamideBenzamide, 3,5-dibromo-N-(4-chloro-3-nitrophenyl)-2-hydroxy-
Database identifiers
- CAS
72699-06-0- PubChem CID
- 175113
- DTXSID
DTXSID10222998
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 448.8 · 448.8±45.0 °C(Predicted)
- Density
- 2.02 · 2.020±0.06 g/cm3(Predicted)
- pka
- 5.82 · 5.82±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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