A1JHB

6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione

Created:	2025-06-17
Last modified:	2025-09-17

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1 entries where A1JHB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of A1JHB

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Chemical Component Summary
Name	6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)	6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione
Formula	C₁₆ H₁₃ F N₂ O₃
Molecular Weight	300.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CCOc2ccc3c(c2)C(=O)NNC3=O)F
Canonical SMILES	CACTVS	3.385	Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CCOc2ccc3c(c2)C(=O)NNC3=O)F
InChI	InChI	1.06	InChI=1S/C16H13FN2O3/c17-14-4-2-1-3-10(14)7-8-22-11-5-6-12-13(9-11)16(21)19-18-15(12)20/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKey	InChI	1.06	YEMZLKBVSQOAOO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	176730630

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