AG00G3DX

77344-68-4 | 4-Nitro-2-trifluoromethylacetophenone

AG00G3DX

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CAS Number	77344-68-4
Catalog Number	AG00G3DX(AGN-PC-00KLMY)
Chemical Name	4-Nitro-2-trifluoromethylacetophenone
IUPAC Name	1-(2-methyl-4-nitrophenyl)ethanone
InChI	InChI=1S/C9H9NO3/c1-6-5-8(10(12)13)3-4-9(6)7(2)11/h3-5H,1-2H3
InChI Key	YNCIXVBGKCHARM-UHFFFAOYSA-N
MDL Number	MFCD21363017
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	CC(C1=CC=C([N+]([O-])=O)C=C1C)=O
Synonyms	1-(2-Methyl-4-nitrophenyl)ethanone, 77344-68-4, 2'-METHYL-4'-NITROACETOPHENONE, 4-nitro-2-trifluoromethylacetophenone, 1-(2-Methyl-4-nitrophenyl)ethan-1-one, SCHEMBL836536, DTXSID60516132, KS-00000RO2, MFCD21363017, ZINC44830752, AKOS015995407, AS01135, DS-5514, AK136391, AJ-110144, 4CH-022340, FT-0741794, ST24037137, X8381, C9H9NO3, 4'-NITRO-2'-(TRIFLUOROMETHYL)ACETOPHENONE,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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