Basic information
- CAS
28434-95-9- Standard SMILES
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1O- InChIKey
MGWVYQDKZKNRAZ-UHFFFAOYSA-N- Molecular formula
- C12H6N2O5
- Average molar mass
- 258.19 g/mol
- Monoisotopic mass
- 258.02767129
Names & identifiers
- Preferred name
- 2-Hydroxy-5-(hydroxy(oxido)amino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
- IUPAC
- 2-hydroxy-5-nitrobenzo[de]isoquinoline-1,3-dione
Names & synonyms
28434-95-92-Hydroxy-5-(hydroxy(oxido)amino)-1H-benzo(de)isoquinoline-1,3(2H)-dioneNSC116383NSC 1163831H-Benz[de]isoquinoline-1,3(2H)-dione,2-hydroxy-5-nitro-2-hydroxy-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione2-hydroxy-5-nitro-benzo[de]isoquinoline-1,3-dioneNSC-1163832-hydroxy-5-nitrobenzo[de]isoquinoline-1,3-dione2-Hydroxy-5-(hydroxy(oxido)amino)-1H-benzo[de]isoquinoline-1,3(2H)-dione1h-benz[de]isoquinoline-1,3(2h)-dione, 2-hydroxy-5-nitro-QKH2K58KS2
Show more names
Oprea1_550309Oprea1_642724SCHEMBL7703786CHEMBL2002006DTXSID80182636MGWVYQDKZKNRAZ-UHFFFAOYSA-NSTK400670AKOS005434574
Database identifiers
- CAS
28434-95-9- PubChem CID
- 272142
- DTXSID
DTXSID80182636- ChEMBL
CHEMBL2002006- UNII
- QKH2K58KS2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Related reactions
4 records
Compound notes
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