Basic information
- CAS
6490-99-9- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O- InChIKey
UOHLBUBEMXVTMQ-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O4
- Average molar mass
- 292.67 g/mol
- Monoisotopic mass
- 292.0250845
Names & identifiers
- Preferred name
- Salicylanilide, 4'-chloro-3-nitro-
- IUPAC
- N-(4-chlorophenyl)-2-hydroxy-3-nitrobenzamide
- English name
- 4CHLORO3NITROSALICYLANILIDE
- Molecular formula
- C13H9ClN2O4
- Molecular weight
- 292.67
Names & synonyms
Salicylanilide, 4'-chloro-3-nitro-4'-Chloro-3-nitrosalicylanilideBenzamide, N-(4-chlorophenyl)-2-hydroxy-3-nitro-6490-99-9AI3-51402NSC-22899YHF4YEU2X3DTXSID50215223RefChem:1098313DTXCID50137714USAF BV-7N-(4-chlorophenyl)-2-hydroxy-3-nitrobenzamide
Show more names
N-(4-Chlorophenyl)-3-nitrosalicylamide
NSC 22899BRN 2754301NSC228994'-chloro-2-hydroxy-3-nitrobenzanilideWLN: WNR BQ CVMR DGSCHEMBL2060528CHEMBL2003378NCI60_001866
Database identifiers
- CAS
6490-99-9- PubChem CID
- 80982
- DTXSID
DTXSID50215223- ChEMBL
CHEMBL2003378- UNII
- YHF4YEU2X3
- Nikkaji
- J48.311G
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Experimental & physicochemical properties
LogP2.16
Physicochemical properties
- Water Solubility
- 8.344 mg/L · 8.344mg/L(25 ºC)
- FDA UNII
- 4 YEU2X3 · YHF4YEU2X3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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