Ethanone, 2-((2-chloro-6-nitro-9-acridinyl)thio)-1-(4-nitrophenyl)-
Basic information
- CAS
134826-45-2- Standard SMILES
O=C(CSc1c2ccc([N+](=O)[O-])cc2nc2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1- InChIKey
DPKBDRJTVRBUQH-UHFFFAOYSA-N- Molecular formula
- C21H12ClN3O5S
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.0186194
Names & identifiers
- Preferred name
- Ethanone, 2-((2-chloro-6-nitro-9-acridinyl)thio)-1-(4-nitrophenyl)-
- IUPAC
- 2-(2-chloro-6-nitroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone
Names & synonyms
BRN 4892809Ethanone, 2-((2-chloro-6-nitro-9-acridinyl)thio)-1-(4-nitrophenyl)-134826-45-2DTXSID101589802-((2-Chloro-6-nitro-9-acridinyl)thio)-1-(4-nitrophenyl)ethanoneRefChem:341319DTXCID50814712-[(2-Chloro-6-nitroacridin-9-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Database identifiers
- CAS
134826-45-2- PubChem CID
- 3077591
- DTXSID
DTXSID10158980
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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