WVV

3-(2-fluorophenyl)benzoic acid

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

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1 entries where WVV 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 WVV

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Chemical Component Summary
Name	3-(2-fluorophenyl)benzoic acid
Systematic Name (OpenEye OEToolkits)	3-(2-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)c2ccccc2F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2cccc(c2)C(=O)O)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cccc(c1)c2ccccc2F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2cccc(c2)C(=O)O)F
InChI	InChI	1.03	InChI=1S/C13H9FO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)
InChIKey	InChI	1.03	KJRAPRROUUCCPO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2782683
ChEMBL	CHEMBL122977

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.