Basic information
- Standard SMILES
O=C(N1Cc2ccc([N+](=O)[O-])c3c(S(=O)(=O)Cl)ccc(c23)C1)C(F)(F)F- InChIKey
GNUOWLXWEMZJAC-UHFFFAOYSA-N- Molecular formula
- C14H8ClF3N2O5S
- Average molar mass
- 408.7 g/mol
Names & identifiers
- Preferred name
- 7-nitro-2,3-dihydro-2-trifluoroacetyl-1H-Benz[de]isoquinoline-6-sulfonyl chloride
- IUPAC
- 7-nitro-2-(2,2,2-trifluoroacetyl)-1,3-dihydrobenzo[de]isoquinoline-6-sulfonyl chloride
Names & synonyms
7-nitro-2,3-dihydro-2-trifluoroacetyl-1H-Benz[de]isoquinoline-6-sulfonyl chlorideSCHEMBL7524452
Database identifiers
- PubChem CID
- 21189601
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
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