AG003F5V

870066-15-2 | 2-(Trifluoromethyl)nicotinonitrile

AG003F5V

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CAS Number	870066-15-2
Catalog Number	AG003F5V(AGN-PC-058CRT)
Chemical Name	2-(Trifluoromethyl)nicotinonitrile
IUPAC Name	2-(trifluoromethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H
InChI Key	APSXEJUOOOHRGS-UHFFFAOYSA-N
MDL Number	MFCD08741366
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	N#CC1=C(C(F)(F)F)N=CC=C1
Synonyms	2-(Trifluoromethyl)nicotinonitrile, 870066-15-2, 2-(trifluoromethyl)pyridine-3-carbonitrile, ACMC-20aolm, 2-TRIFLUOROMETHYL-3-CYANOPYRIDINE, SCHEMBL844878, 2-Trifluoromethylnicotinonitrile, CTK5F7606, KS-00003QXE, 2-(Trifluoromethyl)icotinonitrile, DTXSID90650538, APSXEJUOOOHRGS-UHFFFAOYSA-N, 3-cyano-2-(trifluoromethyl)pyridine, 1133AF, MFCD08741366, SBB055549, ZINC16159961, AKOS016014065, PS-6919, SB21204, AC-29147, AJ-68824, QC-11071, SY096546, 2-(trifluoromethyl)-3-pyridinecarbonitrile, RT-007268, ST2404082, 3-Pyridinecarbonitrile,2-(trifluoromethyl)-, 4CH-018720, FT-0699105, MFCD08741366 (97%), Z-8798, 2-(Trifluoromethyl)pyridine-3-carbonitrile, 97%, A841912, C7H3F3N2, ACN-028338, 3-Pyridinecarbonitrile, 2-(trifluoromethyl)-,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.025g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.11g/mol
Monoisotopic Mass	172.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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