Dimethyl 2-(3-fluoro-naphthacene-5,12-dionyl)-malonate

HCID 20089823
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Basic information

Standard SMILES
COC(=O)C(C(=O)OC)c1cc(F)cc2c1C(=O)c1cc3ccccc3cc1C2=O
InChIKey
RIBBADICIRRXCT-UHFFFAOYSA-N
Molecular formula
C23H15FO6
Average molar mass
406.4 g/mol
Monoisotopic mass
406.08526636

Names & identifiers

Preferred name
Dimethyl 2-(3-fluoro-naphthacene-5,12-dionyl)-malonate
IUPAC
dimethyl 2-(3-fluoro-5,12-dioxotetracen-1-yl)propanedioate

Names & synonyms

SCHEMBL9416621RIBBADICIRRXCT-UHFFFAOYSA-NDimethyl 2-(3-fluoro-naphthacene-5,12-dionyl)-malonate

Database identifiers

PubChem CID
20089823

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
86.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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