AG003M88

951624-83-2 | 5-(Trifluoromethyl)nicotinonitrile

AG003M88

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CAS Number	951624-83-2
Catalog Number	AG003M88(AGN-PC-0W4RCN)
Chemical Name	5-(Trifluoromethyl)nicotinonitrile
IUPAC Name	5-(trifluoromethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)6-1-5(2-11)3-12-4-6/h1,3-4H
InChI Key	HAWFNLPVIMFXGB-UHFFFAOYSA-N
MDL Number	MFCD07368841
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	N#CC1=CN=CC(C(F)(F)F)=C1
Synonyms	5-(Trifluoromethyl)nicotinonitrile, 951624-83-2, 5-(trifluoromethyl)pyridine-3-carbonitrile, 3-cyano-5-(trifluoromethyl)pyridine, AK-36966, ACMC-20am7n, SCHEMBL2749165, 5-Trifluoromethyl-nicotinonitrile, CTK5H7430, KS-00000EZN, DTXSID00651258, HAWFNLPVIMFXGB-UHFFFAOYSA-N, BBL100524, FCH836111, MFCD07368841, SBB088575, STL554318, ZINC19735881, AKOS005254481, RP02706, RTR-029659, AC-29121, AJ-74712, DS-13080, SC-29819, 5-(Trifluoromethyl)-3-Pyridinecarbonitrile, AB0037536, AX8101439, ST2406040, TR-029659, 3-Pyridinecarbonitrile,5-(trifluoromethyl)-, 4CH-017462, FT-0678114, Y4824, Y-9150, 5-(Trifluoromethyl)pyridine-3-carbonitrile, 95%, J-516452, I14-29451, 5- NICOTINONITRILE, C7H3F3N2, 3-Pyridinecarbonitrile, 5-(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	6.1
Hazard statements	H301-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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