AG0000PO

1000536-10-6 | 2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-

AG0000PO

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CAS Number	1000536-10-6
Catalog Number	AG0000PO(AGN-PC-0ALT3D)
Chemical Name	2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
IUPAC Name	2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1H2
InChI Key	WHYZMJPCMMNSSR-UHFFFAOYSA-N
MDL Number	MFCD09923755
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	N#CCC1=NC=CC(C(F)(F)F)=C1
Synonyms	2-(4-(trifluoromethyl)pyridin-2-yl)acetonitrile, 1000536-10-6, 2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile, SCHEMBL6052863, DTXSID60717182, KS-00000RG2, MFCD09923755, ZINC44368461, AKOS006312185, DS-6931, RL00009, AK131457, 4-(Trifluoromethyl)pyridine-2-acetonitrile, AJ-109658, 4CH-005638, ST24039389, [4-(Trifluoromethyl)pyridin-2-yl]acetonitrile, 2-Pyridineacetonitrile, 4-(trifluoromethyl)-, J-505873, Z2168542069,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	1
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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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