5RG

2-amino-5-fluorobenzoic acid

Created:	2011-08-03
Last modified:	2011-08-03

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2 entries where 5RG 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 5RG

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Chemical Component Summary
Name	2-amino-5-fluorobenzoic acid
Systematic Name (OpenEye OEToolkits)	2-azanyl-5-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)c1cc(F)ccc1N
SMILES	CACTVS	3.370	Nc1ccc(F)cc1C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	c1cc(c(cc1F)C(=O)O)N
Canonical SMILES	CACTVS	3.370	Nc1ccc(F)cc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(c(cc1F)C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey	InChI	1.03	FPQMGQZTBWIHDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	101412
ChEBI	CHEBI:78042
CCDC/CSD	MEWROX
COD	2237486

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