6H1

6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol

Created:	2016-04-08
Last modified:	2024-09-27

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1 entries where 6H1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of 6H1

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Chemical Component Summary
Name	6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol
Systematic Name (OpenEye OEToolkits)	6-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxol-5-ol
Formula	C₁₅ H₁₁ F₃ O₃
Molecular Weight	296.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(cc1)C(F)(F)F)Cc3c(cc2OCOc2c3)O
SMILES	CACTVS	3.385	Oc1cc2OCOc2cc1Cc3ccc(cc3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.4	c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F
Canonical SMILES	CACTVS	3.385	Oc1cc2OCOc2cc1Cc3ccc(cc3)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(ccc1Cc2cc3c(cc2O)OCO3)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)19)21-8-20-13/h1-4,6-7,19H,5,8H2
InChIKey	InChI	1.03	CZTARKWMYGFNTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118988443

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