20D

2-(4-fluorophenyl)-4H-chromen-4-one

Created:	2012-10-19
Last modified:	2021-03-01

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2 entries where 20D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	12

2D diagram of 20D

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Chemical Component Summary
Name	2-(4-fluorophenyl)-4H-chromen-4-one
Synonyms	4'-fluoroflavone
Systematic Name (OpenEye OEToolkits)	2-(4-fluorophenyl)chromen-4-one
Formula	C₁₅ H₉ F O₂
Molecular Weight	240.229
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
SMILES	CACTVS	3.370	Fc1ccc(cc1)C2=CC(=O)c3ccccc3O2
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.370	Fc1ccc(cc1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey	InChI	1.03	ZHXIMGYEMBZGOI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL53738
PubChem	261391
ChEMBL	CHEMBL53738

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