3F0

2-azanyl-3-fluoranyl-benzoic acid

Created:	2014-02-05
Last modified:	2021-03-01

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1 entries where 3F0 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 3F0

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Chemical Component Summary
Name	2-azanyl-3-fluoranyl-benzoic acid
Synonyms	3-fluoroanthranilate
Systematic Name (OpenEye OEToolkits)	2-azanyl-3-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	Fc1cccc(C(=O)O)c1N
SMILES	CACTVS	3.385	Nc1c(F)cccc1C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1)F)N)C(=O)O
Canonical SMILES	CACTVS	3.385	Nc1c(F)cccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(c(c1)F)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey	InChI	1.03	KUHAYJJXXGBYBW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	586408

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