AG003LUT

320-36-5 | 4-Nitro-3-(trifluoromethyl)benzonitrile

AG003LUT

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CAS Number	320-36-5
Catalog Number	AG003LUT(AGN-PC-001BRL)
Chemical Name	4-Nitro-3-(trifluoromethyl)benzonitrile
IUPAC Name	4-nitro-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3N2O2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13(14)15/h1-3H
InChI Key	AVSDRULQBQMLES-UHFFFAOYSA-N
MDL Number	MFCD05664270
Molecular Formula	C8H3F3N2O2
Molecular Weight	216.1168
SMILES	N#CC1=CC=C([N+]([O-])=O)C(C(F)(F)F)=C1
Synonyms	4-Nitro-3-(trifluoromethyl)benzonitrile, 320-36-5, 4-NITRO-3-TRIFLUOROMETHYLBENZONITRILE, AK-53819, Benzonitrile, 4-nitro-3-(trifluoromethyl)-, ACMC-20amct, SCHEMBL11711960, CTK4G8098, DTXSID30559935, CS-D0551, KS-00000M2C, ZINC2548252, ACM320365, MFCD05664270, AKOS015889621, AKOS016011188, 3-(Trifluoromethyl)-4-nitrobenzonitrile, AJ-39505, DS-14287, SY045930, Benzonitrile,4-nitro-3-(trifluoromethyl)-, AX8005582, TC-168644, MFCD05664270 (97%), 4-Nitro-3-(trifluoromethyl)benzonitrile, 98%, 4-NITRO-3-(TRIFLUOROMETHYL)BENZONITRILE&, J-018607, I01-19421, Not Available, ACN-055959,

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	2.9

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

Lot Number