AG007NMY

243666-13-9 | 2-(2,3,4-Trifluorophenyl)acetonitrile

AG007NMY

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CAS Number	243666-13-9
Catalog Number	AG007NMY(AGN-PC-0KKYKV)
Chemical Name	2-(2,3,4-Trifluorophenyl)acetonitrile
IUPAC Name	2-(2,3,4-trifluorophenyl)acetonitrile
InChI	InChI=1S/C8H4F3N/c9-6-2-1-5(3-4-12)7(10)8(6)11/h1-2H,3H2
InChI Key	BHGADPADDLWFSR-UHFFFAOYSA-N
MDL Number	MFCD00061234
Molecular Formula	C8H4F3N
Molecular Weight	171.1193
SMILES	N#CCC1=CC=C(F)C(F)=C1F
Synonyms	243666-13-9, 2,3,4-Trifluorophenylacetonitrile, 2-(2,3,4-trifluorophenyl)acetonitrile, 2,3,4-Trifluorobenzyl cyanide, AK135190, 2-(2,3,4-trifluorophenyl)ethanenitrile, AC1MCS7H, AC1Q4MDB, 2,3,4-Trifluorobenzylcyanide, SCHEMBL332998, CTK4F3496, DTXSID90380727, PC7818J, ATTERCOP-CHM AT118423, JRD-0225, ZINC4290229, ZX-AP007017, 2,3,4-(trifluorophenyl)acetonitrile, CK1026, FCH918389, MFCD00061234, SBB088476, AKOS006227800, Benzeneacetonitrile,2,3,4-trifluoro-, AS02364, DS-4914, MCULE-5334255159, RTR-011249, AJ-50309, AN-29391, AB0030466, AX8032835, 4CH-022317, FT-0676278, ST24039098, ST51041563, X2664, 2-[2,3,4-tris(fluoranyl)phenyl]ethanenitrile, Y-8640, 666T139, A817249, C-47036, J-015468, I14-29759, C8H4F3N, CT-179, ZINC04290229, CID2777954,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.122g/mol
Monoisotopic Mass	171.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P310-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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