AG004C75

887583-52-0 | 6-(trifluoromethyl)pyridine-2-carbonitrile

AG004C75

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CAS Number	887583-52-0
Catalog Number	AG004C75(AGN-PC-03EH6E)
Chemical Name	6-(trifluoromethyl)pyridine-2-carbonitrile
IUPAC Name	6-(trifluoromethyl)pyridine-2-carbonitrile
InChI	InChI=1S/C7H3F3N2/c8-7(9,10)6-3-1-2-5(4-11)12-6/h1-3H
InChI Key	LXNGKPOIZPTXDL-UHFFFAOYSA-N
MDL Number	MFCD07368048
Molecular Formula	C7H3F3N2
Molecular Weight	172.1073
SMILES	N#CC1=NC(C(F)(F)F)=CC=C1
Synonyms	6-(Trifluoromethyl)picolinonitrile, 887583-52-0, 6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBONITRILE, 2-Cyano-6-(trifluoromethyl)pyridine, 6-Trifluoromethyl-pyridine-2-carbonitrile, 6-(trifluoromethyl)-2-pyridinecarbonitrile, SCHEMBL1442844, CTK5G1523, DTXSID30617044, LXNGKPOIZPTXDL-UHFFFAOYSA-N, ANW-60677, BBL103063, MFCD07368048, STL556872, ZINC21985252, AKOS005145742, AB31581, RP02705, WT81918, 2-CYANO-6-TRIFLUOROMETHYLPYRIDINE, AC-27970, AJ-79330, AK-86083, SC-30009, TC-149422, 2-Pyridinecarbonitrile,6-(trifluoromethyl)-, FT-0739210, Y4563, 2-Pyridinecarbonitrile, 6-(trifluoromethyl)-, Z-7341, A842882, J-518132, 6- pyridine-2-carbonitrile, C7H3F3N2, ACN-056510,

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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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