AG001PLT

157662-77-6 | Benzeneacetonitrile, 4-fluoro-3-nitro-

AG001PLT

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CAS Number	157662-77-6
Catalog Number	AG001PLT(AGN-PC-0WALNG)
Chemical Name	Benzeneacetonitrile, 4-fluoro-3-nitro-
IUPAC Name	2-(4-fluoro-3-nitrophenyl)acetonitrile
InChI	InChI=1S/C8H5FN2O2/c9-7-2-1-6(3-4-10)5-8(7)11(12)13/h1-2,5H,3H2
InChI Key	FCOLUCPHJHRTLY-UHFFFAOYSA-N
MDL Number	MFCD09909410
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	[O-][N+](=O)C1=C(F)C=CC(CC#N)=C1
Synonyms	4-FLUORO-3-NITROPHENYLACETONITRILE, 157662-77-6, 2-(4-FLUORO-3-NITROPHENYL)ACETONITRILE, AK-33484, SCHEMBL16096926, CTK7C9709, DTXSID00466465, FCOLUCPHJHRTLY-UHFFFAOYSA-N, 4-Fluoro-3-nitrobenzeneacetonitrile, 7908AA, AB3789, FCH876515, MFCD09909410, ZINC85210270, (4-Fluoro-3-nitrophenyl)acetonitrile, AKOS006310236, Benzeneacetonitrile, 4-fluoro-3-nitro-, DS-12339, AJ-126500, AX8161203, C8H5FN2O2, CID11458029, 2-(4-fluoro-3-nitro-phenyl)acetonitrile,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.138g/mol
Monoisotopic Mass	180.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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