FBG

6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid

Created:	2012-03-28
Last modified:	2013-01-25

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1 entries where FBG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of FBG

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Chemical Component Summary
Name	6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Systematic Name (OpenEye OEToolkits)	6-fluoranyl-4H-1,3-benzodioxine-8-carboxylic acid
Formula	C₉ H₇ F O₄
Molecular Weight	198.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2cc(F)cc1c2OCOC1
SMILES	CACTVS	3.370	OC(=O)c1cc(F)cc2COCOc12
SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c2c1COCO2)C(=O)O)F
Canonical SMILES	CACTVS	3.370	OC(=O)c1cc(F)cc2COCOc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c2c1COCO2)C(=O)O)F
InChI	InChI	1.03	InChI=1S/C9H7FO4/c10-6-1-5-3-13-4-14-8(5)7(2-6)9(11)12/h1-2H,3-4H2,(H,11,12)
InChIKey	InChI	1.03	HWBALMSPYAUMMB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2779901

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