1Y6

4-fluorobenzoic acid

Created:	2013-07-31
Last modified:	2024-09-27

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2 entries where 1Y6 is found as a standalone ligand2 entries where 1Y6 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of 1Y6

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Chemical Component Summary
Name	4-fluorobenzoic acid
Systematic Name (OpenEye OEToolkits)	4-fluoranylbenzoic acid
Formula	C₇ H₅ F O₂
Molecular Weight	140.112
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(C(=O)O)cc1
SMILES	CACTVS	3.385	OC(=O)c1ccc(F)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccc(F)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C(=O)O)F
InChI	InChI	1.03	InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey	InChI	1.03	BBYDXOIZLAWGSL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9973
ChEMBL	CHEMBL316860
ChEBI	CHEBI:20364
CCDC/CSD	PFBZAD15, CEKPIT, PFBZAD01, IPEVIJ, ISEHUK, FECFIF, OVUMEY, SARKII, PFBZAD10, EJOJEU, CEKMEM, ASAXUN01, BOVVIT, PFBZAD11, PFBZAD12, PFBZAD13, SARKII01, PFBZAD14, LETSAG, ASAXUN, IJOFOF, KEKNUN, VEJQAG
COD	2100865, 1546492, 1516189, 1516191, 1516194, 1516196, 1516195

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