S1D

3-(4-fluorophenyl)benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where S1D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	12

2D diagram of S1D

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Chemical Component Summary
Name	3-(4-fluorophenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(4-fluorophenyl)benzoic acid
Formula	C₁₃ H₉ F O₂
Molecular Weight	216.208
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2ccc(F)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2ccc(cc2)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)C(=O)O)c2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C13H9FO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
InChIKey	InChI	1.03	YUQPLNXKGVRIAJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2782688
ChEMBL	CHEMBL121838

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