Basic information
- CAS
63981-15-7- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1O- InChIKey
QLVVQRCTAOWEFK-UHFFFAOYSA-N- Molecular formula
- C14H11N3O6
- Average molar mass
- 317.25 g/mol
- Monoisotopic mass
- 317.06478508
Names & identifiers
- Preferred name
- Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro-
- IUPAC
- 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide
- English name
- 2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide
- Molecular formula
- C14H11N3O6
- Molecular weight
- 317.25
Names & synonyms
2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide63981-15-72'-Salicylotoluidide, 3,5'-dinitro-BENZAMIDE, 2-HYDROXY-N-(2-METHYL-5-NITROPHENYL)-3-NITRO-DTXSID40213879NSC 79451RefChem:321434DTXCID20136370NSC79451NCIMech_000174CHEMBL19796812'-Salicylotoluidide,5'-dinitro-
Show more names
CCG-35331NSC-79451NCI60_041750PD011906DB-323998
Database identifiers
- CAS
63981-15-7- PubChem CID
- 45952
- DTXSID
DTXSID40213879- ChEMBL
CHEMBL1979681- Nikkaji
- J149.135K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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