AG003LUQ

393-12-4 | N-(4-Nitro-3-(trifluoromethyl)phenyl)acetamide

AG003LUQ

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CAS Number	393-12-4
Catalog Number	AG003LUQ(AGN-PC-0JOJII)
Chemical Name	N-(4-Nitro-3-(trifluoromethyl)phenyl)acetamide
IUPAC Name	N-[4-nitro-3-(trifluoromethyl)phenyl]acetamide
InChI	InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
InChI Key	MIHJCLQINRFOLX-UHFFFAOYSA-N
MDL Number	MFCD00017994
Molecular Formula	C9H7F3N2O3
Molecular Weight	248.1587
NSC Number	60254
SMILES	CC(NC1=CC=C([N+]([O-])=O)C(C(F)(F)F)=C1)=O
UNII	S6SO2536UO
Synonyms	393-12-4, 4'-Nitro-3'-(trifluoromethyl)acetanilide, N-(4-Nitro-3-(trifluoromethyl)phenyl)acetamide, 5-Acetoamido-2-nitrobenzotrifluoride, 4-NITRO-3-(TRIFLUOROMETHYL)ACETANILIDE, 4-Nitro-3-trifluoromethylacetanilide, UNII-S6SO2536UO, n-[4-nitro-3-(trifluoromethyl)phenyl]acetamide, S6SO2536UO, 5-Acetamido-2-nitrobenzotrifluoride, Acetamide, N-[4-nitro-3-(trifluoromethyl)phenyl]-, NSC60254, 5-Acetamido-2-nitro benzotrifluoride, NSC 60254, PubChem2758, AC1Q1KLY, AC1Q4JLG, ACMC-209j4p, AC1L6IT2, FlutaMide Related CoMpound B, Acetamide,N-[4-nitro-3-(trifluoromethyl)phenyl]-, SCHEMBL6815986, CTK8B1605, DTXSID40192539, KS-000016GT, ZINC4578619, 2399AE, ANW-29063, MFCD00017994, NSC-60254, SBB064787, AKOS001026731, 4'-Nitro-3'-trifluoromethylacetanilide, MCULE-2938306886, TRA0070063, VZ27407, AJ-51707, PS-10422, DB-049400, FT-0614852, N0548, ST50409428, n-(4-nitro-3-trifluoromethyl-phenyl)-acetamide, N-[4-nitro-3-(trifluoromethyl)phenyl]-acetamide, SR-01000410985, I01-5849, SR-01000410985-1, C9H7F3N2O3, AR-1K4167, CID246769, 4-Nitro-3-(trifluoromethyl)acetanilide, 97% - 1G 1g, 23363-91-9,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.041g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.161g/mol
Monoisotopic Mass	248.041g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number