Basic information
- CAS
63981-17-9- Standard SMILES
Cc1cccc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1O- InChIKey
NESNKKZSTMEYDD-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- Benzamide, N-(2,6-dimethylphenyl)-2-hydroxy-3-nitro-
- IUPAC
- N-(2,6-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
- English name
- N-(2,6-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide
- Molecular formula
- C15H14N2O4
- Molecular weight
- 286.28
Names & synonyms
N-(2,6-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide2',6'-Salicyloxylidide, 3-nitro-63981-17-9BENZAMIDE, N-(2,6-DIMETHYLPHENYL)-2-HYDROXY-3-NITRO-DTXSID10213881RefChem:322150DTXCID40136372SCHEMBL7157573DB-308471
Database identifiers
- CAS
63981-17-9- PubChem CID
- 45954
- DTXSID
DTXSID10213881- Nikkaji
- J149.114H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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