PXF

2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where PXF is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

2D diagram of PXF

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Chemical Component Summary
Name	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
Synonyms	8-FLUORO-PHENOXAZINE
Systematic Name (OpenEye OEToolkits)	2-azanyl-8-fluoranyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylic acid
Formula	C₁₆ H₁₁ F N₂ O₆
Molecular Weight	346.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C
SMILES	CACTVS	3.385	Cc1cc(F)c(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O)F
Canonical SMILES	CACTVS	3.385	Cc1cc(F)c(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O)F
InChI	InChI	1.06	InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)
InChIKey	InChI	1.06	ICZZEXATIFONSA-UHFFFAOYSA-N

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