Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)-
Basic information
- CAS
134826-43-0- Standard SMILES
O=C(CSc1c2ccc(Cl)cc2nc2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1- InChIKey
RKQMHASIAMPCTR-UHFFFAOYSA-N- Molecular formula
- C21H12Cl2N2O3S
- Average molar mass
- 443.3 g/mol
- Monoisotopic mass
- 441.9945688
Names & identifiers
- Preferred name
- Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)-
- IUPAC
- 2-(2,6-dichloroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone
Names & synonyms
BRN 4890566Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)-134826-43-02-((2,6-Dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)ethanoneDTXSID40158978RefChem:341317DTXCID10814692-[(2,6-Dichloroacridin-9-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one
Database identifiers
- CAS
134826-43-0- PubChem CID
- 3077589
- DTXSID
DTXSID40158978
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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