Basic information
- CAS
6490-98-8- Standard SMILES
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O- InChIKey
CDYKTFABNOULII-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O4
- Average molar mass
- 292.67 g/mol
- Monoisotopic mass
- 292.0250845
Names & identifiers
- Preferred name
- 4'-Chloro-2-Hydroxy-5-nitrobenzanilide
- IUPAC
- N-(4-chlorophenyl)-2-hydroxy-5-nitrobenzamide
- English name
- 4CHLORO5NITROSALICYLANILIDE
- Molecular formula
- C13H9ClN2O4
- Molecular weight
- 292.67
Names & synonyms
6490-98-8Salicylanilide, 4'-chloro-5-nitro-DTXSID20877377RefChem:1069029DTXCID9010154554'-Chloro-2-Hydroxy-5-nitrobenzanilideUSAF BV-13Benzamide, N-(4-chlorophenyl)-2-hydroxy-5-nitro-N-(4-chlorophenyl)-2-hydroxy-5-nitrobenzamide4'-Chloro-5-nitrosalicylanilideNSC27097NSC 27097
Show more names
4CHLORO5NITROSALICYLANILIDEN-(4-Chlorophenyl)-5-nitrosalicylamide
BRN 2153778Oprea1_855885WLN: WNR DQ CVMR DGSCHEMBL2061203CHEMBL1974569NSC-27097STK365761AKOS005442782
Database identifiers
- CAS
6490-98-8- PubChem CID
- 80981
- DTXSID
DTXSID20877377- ChEMBL
CHEMBL1974569- Nikkaji
- J48.312E
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
Experimental & physicochemical properties
LogP2.54
Physicochemical properties
- Water Solubility
- 2.21 mg/L · 2.21mg/L(25 ºC)
Chemistry & industry
Suppliers1 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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