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Compound
5,6-dimethoxy-8-nitro-1H-quinazoline-2,4-dione
HCID
13772011
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Basic information
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Basic information
Standard SMILES
COc1cc([N+](=O)[O-])c2[nH]c(=O)[nH]c(=O)c2c1OC
InChIKey
DNLDCJPPKNGIEZ-UHFFFAOYSA-N
Molecular formula
C10H9N3O6
Average molar mass
267.19 g/mol
Names & identifiers
Preferred name
5,6-dimethoxy-8-nitro-1H-quinazoline-2,4-dione
IUPAC
5,6-dimethoxy-8-nitro-1H-quinazoline-2,4-dione
Names & synonyms
SCHEMBL10912627
Database identifiers
PubChem CID
13772011
Properties
Computed structural properties
XLogP
0.2
Topological polar surface area
122 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
409
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Related reactions
1 records
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As solvent
HRID
820259
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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