WF4

4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid

Created:	2014-09-24
Last modified:	2015-01-21

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2 entries where WF4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

2D diagram of WF4

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Chemical Component Summary
Name	4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
Formula	C₁₂ H₈ F₃ N O₂ S
Molecular Weight	287.258
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c2ccc(c1nc(c(s1)C(=O)O)C)cc2
SMILES	CACTVS	3.385	Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1nc(sc1C(O)=O)c2ccc(cc2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
InChIKey	InChI	1.03	DRFFZMPSUPHSJN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2775663

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