1GM

4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol

Created:	2013-01-25
Last modified:	2013-03-27

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1 entries where 1GM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	16

2D diagram of 1GM

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Chemical Component Summary
Name	4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-[2-ethyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Formula	C₁₆ H₁₃ F₃ N₂ O₂
Molecular Weight	322.282
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CC
SMILES	CACTVS	3.370	CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O
SMILES	OpenEye OEToolkits	1.7.6	CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O
Canonical SMILES	CACTVS	3.370	CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O
InChI	InChI	1.03	InChI=1S/C16H13F3N2O2/c1-2-21-15(10-7-6-9(22)8-13(10)23)11-4-3-5-12(14(11)20-21)16(17,18)19/h3-8,22-23H,2H2,1H3
InChIKey	InChI	1.03	KBGLTSFNAOPVIO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566804

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