Basic information
- CAS
5241-52-1- Standard SMILES
Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1C- InChIKey
KXTITKVWDRENOT-UHFFFAOYSA-N- Molecular formula
- C14H12N4O3
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.09094026
Names & identifiers
- Preferred name
- N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
- IUPAC
- N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Names & synonyms
5241-52-1N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amineN-(3,4-Dimethylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amineOprea1_317164DTXSID20385482SR-01000200518SR-01000200518-1
Database identifiers
- CAS
5241-52-1- PubChem CID
- 2836610
- DTXSID
DTXSID20385482
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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