AG007B27

16499-52-8 | 2-Nitro-5-(trifluoromethyl)benzonitrile

AG007B27

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CAS Number	16499-52-8
Catalog Number	AG007B27(AGN-PC-056MY3)
Chemical Name	2-Nitro-5-(trifluoromethyl)benzonitrile
IUPAC Name	2-nitro-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
InChI Key	FHFVTHPGDCWXTD-UHFFFAOYSA-N
MDL Number	MFCD09264505
Molecular Formula	C8H3F3N2O2
Molecular Weight	216.1168
SMILES	N#CC1=CC(C(F)(F)F)=CC=C1[N+]([O-])=O
Synonyms	2-Nitro-5-(trifluoromethyl)benzonitrile, 16499-52-8, 3-Cyano-4-nitrobenzotrifluoride, Benzonitrile,2-nitro-5-(trifluoromethyl)-, 2-Cyano-4-(trifluoromethyl)nitrobenzene, CTK4D1966, DTXSID30649946, ZX-AP012486, CL9047, MFCD09264505, PC3155, SBB095208, ZINC14989282, AKOS015914392, AS02552, AJ-66688, AS-46184, BC227683, SC-95020, AX8032191, 2-nitro-5-(trifluoromethyl)benzenecarbonitrile, I14-42402,

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	1.9

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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