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5,6-dimethoxy-8-nitro-1H-quinazoline-2,4-dione

HCID 13772011
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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

Related reactions

1 records
New reaction record
HRID 820259 reaction equation
HRID 820259As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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