7EF

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

Created:	2016-10-14
Last modified:	2017-01-18

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1 entries where 7EF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

2D diagram of 7EF

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Chemical Component Summary
Name	4-[2-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol
Systematic Name (OpenEye OEToolkits)	4-[2-(3-methylbut-2-enyl)-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
Formula	C₁₉ H₁₇ F₃ N₂ O₂
Molecular Weight	362.346
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1c(ccc(c1)O)c2n(nc3c2cccc3C(F)(F)F)C[C@H]=C(C)C
SMILES	CACTVS	3.385	CC(C)=CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O
SMILES	OpenEye OEToolkits	2.0.6	CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C
Canonical SMILES	CACTVS	3.385	CC(C)=CCn1nc2c(cccc2C(F)(F)F)c1c3ccc(O)cc3O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C
InChI	InChI	1.03	InChI=1S/C19H17F3N2O2/c1-11(2)8-9-24-18(13-7-6-12(25)10-16(13)26)14-4-3-5-15(17(14)23-24)19(20,21)22/h3-8,10,25-26H,9H2,1-2H3
InChIKey	InChI	1.03	DKFBDLFTKAPOGF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135567288

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