potassium (2-(acetoxymethyl)-3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)phenyl)trifluoroborate

HCID 87134390
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Basic information

Standard SMILES
CC(=O)OCc1c(-n2ncc3cc(C(C)(C)C)cc(F)c3c2=O)cccc1[B-](F)(F)F.[K+]
InChIKey
GXQWPZJVWTWANS-UHFFFAOYSA-N
Molecular formula
C21H20BF4KN2O3
Average molar mass
474.3 g/mol

Names & identifiers

Preferred name
potassium (2-(acetoxymethyl)-3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)phenyl)trifluoroborate
IUPAC
potassium [2-(acetyloxymethyl)-3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)phenyl]-trifluoroboranuide

Names & synonyms

SCHEMBL626696GXQWPZJVWTWANS-UHFFFAOYSA-Npotassium (2-(acetoxymethyl)-3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)phenyl)trifluoroborate

Database identifiers

PubChem CID
87134390

Properties

Computed structural properties

Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
32

Related reactions

17 records
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Linked notes

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