2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-benz[de]isoquinoline-1,3(2H)-dione

HCID 20199012
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Basic information

Standard SMILES
O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
AYYJEVYWHZIXJW-UHFFFAOYSA-N
Molecular formula
C19H9F3N2O4
Average molar mass
386.3 g/mol

Names & identifiers

Preferred name
2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-benz[de]isoquinoline-1,3(2H)-dione
IUPAC
2-[2-nitro-4-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione

Names & synonyms

2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-benz[de]isoquinoline-1,3(2H)-dioneSCHEMBL107258932-[2-nitro-4-(trifluoromethyl)phenyl]-1H-benz[de]isoquinoline-1,3-(2H)-dione

Database identifiers

PubChem CID
20199012

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
83.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
28

Related reactions

4 records
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Compound notes

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2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-benz[de]isoquinoline-1,3(2H)-dione (HCID 20199012)｜Huagongshe