AG003LUK

320-47-8 | 4-Nitro-2-(trifluoromethyl)benzonitrile

AG003LUK

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CAS Number	320-47-8
Catalog Number	AG003LUK(AGN-PC-0KKX3B)
Chemical Name	4-Nitro-2-(trifluoromethyl)benzonitrile
IUPAC Name	4-nitro-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H
InChI Key	AGKQJEFSEQHGTA-UHFFFAOYSA-N
MDL Number	MFCD01075729
Molecular Formula	C8H3F3N2O2
Molecular Weight	216.1168
SMILES	[O-][N+](=O)C1=CC(=C(C=C1)C#N)C(F)(F)F
Synonyms	4-Nitro-2-(trifluoromethyl)benzonitrile, 320-47-8, 2-Cyano-5-nitrobenzotrifluoride, 2-(trifluoromethyl)-4-nitrobenzonitrile, Benzonitrile, 4-nitro-2-(trifluoromethyl)-, AGKQJEFSEQHGTA-UHFFFAOYSA-N, MFCD01075729, 4-nitro-2-(trifluoromethyl)benzenecarbonitrile, 2-trifluoromethyl-4-nitrobenzonitrile, PubChem4821, ACMC-1CTUY, AC1MCQH6, SCHEMBL2853583, CTK4G8124, DTXSID50379692, BUTTPARK 91\04-59, ACT12419, ZINC2572630, ZX-AP002637, 4-nitro-2-trifluoromethylbenzonitrile, ANW-74688, CN-486, PC4317, SBB064401, AKOS005063586, AKOS015890087, AC-4102, AM61899, AS02390, CM13144, MCULE-2140111769, TRA0021279, VZ29515, 4-Cyano-3-(trifluoromethyl)nitrobenzene, KS-0000104L, 1-Trifluoromethyl-2-cyano-5-nitrobenzole, AJ-42059, AK-34668, AN-12297, AS-19064, CC-20063, Benzonitrile,4-nitro-2-(trifluoromethyl)-, AB0031279, AX8010790, DB-048144, TR-013520, FT-0619185, N1068, ST24029189, ST50408248, X4298, 4-Nitro-2-(trifluoromethyl)benzonitrile, 97%, A20982, K-7498, C-11608, I01-4776, J-018615, 4-Nitro-2-(Trifluoromethyl)Ben;2-Cyano-5-nitrobenzotrifluoride, C8H3F3N2O2, 4-Nitro-2-trifluoromethylbenzotrile, ZINC02572630, ACN-050419, CID2775783, 4-Nitro-2-(trifluoromethyl)benzonitrile, 97% - 1G 1g,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.015g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.119g/mol
Monoisotopic Mass	216.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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