Basic information
- CAS
61200-54-2- Standard SMILES
O=[N+]([O-])c1ccc(-c2cc3ccccc3s2)c([N+](=O)[O-])c1- InChIKey
UBACQZNPGMASRC-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4S
- Average molar mass
- 300.29 g/mol
- Monoisotopic mass
- 300.02047791
Names & identifiers
- Preferred name
- Benzo[b]thiophene, 2-(2,4-dinitrophenyl)-
- IUPAC
- 2-(2,4-dinitrophenyl)-1-benzothiophene
Names & synonyms
Benzo[b]thiophene, 2-(2,4-dinitrophenyl)-61200-54-22-(2,4-DINITROPHENYL)-1-BENZOTHIOPHENEDTXSID10485283
Database identifiers
- CAS
61200-54-2- PubChem CID
- 12294331
- DTXSID
DTXSID10485283
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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