Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1706
	Name:	2-(trifluoromethyl)benzonitrile
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: a,a,a-Trifluoro-o-tolunitrile
	Labels:
	CAS:	447-60-9
	InChi Code:	InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.61	experimental value
3.9009	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID3022031	US EPA CompTox Dashboard