2-Hydroxy-5-(hydroxy(oxido)amino)-1H-benzo(de)isoquinoline-1,3(2H)-dione

HCID 272142

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

Related reactions

4 records

Compound notes

Loading…