Basic information
- CAS
6491-02-7- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1O- InChIKey
VUEHVDVDVUINBO-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O4
- Average molar mass
- 292.67 g/mol
- Monoisotopic mass
- 292.0250845
Names & identifiers
- Preferred name
- 3'-Chloro-3-nitrosalicylanilide
- IUPAC
- N-(3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
- English name
- N-(3-chlorophenyl)-2-hydroxy-3-nitro-benzamide
- Molecular formula
- C13H9ClN2O4
- Molecular weight
- 0
Names & synonyms
3'-Chloro-3-nitrosalicylanilide6491-02-7USAF BV-9BRN 27542613DDT5Y8658Salicylanilide, 3'-chloro-3-nitro-Benzamide, N-(3-chlorophenyl)-2-hydroxy-3-nitro-UNII-3DDT5Y8658AI3-51384DTXSID00441574-12-00-01159 (Beilstein Handbook Reference)RefChem:90339
Show more names
N-(3-Chlorophenyl)-3-nitrosalicylamide
DTXCID8024157n-(3-chlorophenyl)-2-hydroxy-3-nitrobenzamideSCHEMBL7161734CHEMBL3628898Benzamide, N-(3-chlorophenyl)-2-hydroxy-3-nitro- [Q27893943N-(3-CHLOROPHENYL)-2-HYDROXY-3-NITRO-BENZAMIDE
Database identifiers
- CAS
6491-02-7- PubChem CID
- 80983
- DTXSID
DTXSID0044157- ChEMBL
CHEMBL3628898- UNII
- 3DDT5Y8658
- Nikkaji
- J48.309E
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
- 374
Physicochemical properties
- FDA UNII
- 3 DDT5Y8658 · 3DDT5Y8658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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