JL7

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

Created:	2018-09-11
Last modified:	2018-10-10

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2 entries where JL7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of JL7

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Chemical Component Summary
Name	2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Formula	C₁₁ H₆ F₃ N O₂ S
Molecular Weight	273.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F
SMILES	CACTVS	3.385	OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F
Canonical SMILES	CACTVS	3.385	OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)
InChIKey	InChI	1.03	NFDUVSSDGPDOLR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2794766

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