FA0

2-amino-4-fluorobenzoic acid

Created:	2013-11-15
Last modified:	2014-04-23

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4 entries where FA0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of FA0

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Chemical Component Summary
Name	2-amino-4-fluorobenzoic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-4-fluoranyl-benzoic acid
Formula	C₇ H₆ F N O₂
Molecular Weight	155.126
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1ccc(F)cc1N
SMILES	CACTVS	3.385	Nc1cc(F)ccc1C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1F)N)C(=O)O
Canonical SMILES	CACTVS	3.385	Nc1cc(F)ccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1F)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChIKey	InChI	1.03	LGPVTNAJFDUWLF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2724967

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.