AG00G5MT

853910-00-6 | 2-Fluoro-4-nitrophenylacetonitrile

AG00G5MT

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CAS Number	853910-00-6
Catalog Number	AG00G5MT(AGN-PC-0F2FOV)
Chemical Name	2-Fluoro-4-nitrophenylacetonitrile
IUPAC Name	2-(2-fluoro-4-nitrophenyl)acetonitrile
InChI	InChI=1S/C8H5FN2O2/c9-8-5-7(11(12)13)2-1-6(8)3-4-10/h1-2,5H,3H2
InChI Key	YTILGOKQDCCMQS-UHFFFAOYSA-N
MDL Number	MFCD13185637
Molecular Formula	C8H5FN2O2
Molecular Weight	180.1359
SMILES	N#CCC1=CC=C([N+]([O-])=O)C=C1F
Synonyms	853910-00-6, 2-Fluoro-4-nitrophenylacetonitrile, 2-(2-Fluoro-4-nitrophenyl)acetonitrile, Benzeneacetonitrile, 2-fluoro-4-nitro-, (2-FLUORO-4-NITROPHENYL)ACETONITRILE, SCHEMBL2815195, YTILGOKQDCCMQS-UHFFFAOYSA-N, 2-Fluoro-4-nitrobenzeneacetonitrile, KS-000011GK, MFCD13185637, ZINC63046428, AKOS012506398, AS06108, CM13711, (2-fluoro-4-nitro-phenyl)-acetonitrile, AS-33224, AJ-114295, CS-0036118, J3.666.205K,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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