AG001SCD

161320-00-9 | Benzonitrile, 4-iodo-3-(trifluoromethyl)-

AG001SCD

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CAS Number	161320-00-9
Catalog Number	AG001SCD(AGN-PC-0Q81Z3)
Chemical Name	Benzonitrile, 4-iodo-3-(trifluoromethyl)-
IUPAC Name	4-iodo-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3IN/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3H
InChI Key	CDGNBOWOOHEOEK-UHFFFAOYSA-N
MDL Number	MFCD08458134
Molecular Formula	C8H3F3IN
Molecular Weight	297.0158
SMILES	FC(F)(F)C1=C(I)C=CC(=C1)C#N
Synonyms	4-iodo-3-(trifluoromethyl)benzonitrile, 161320-00-9, 5-cyano-2-iodobenzotrifluoride, Benzonitrile, 4-iodo-3-(trifluoromethyl)-, EN300-67483, ACMC-20amgb, PubChem4811, AC1Q4IOK, SCHEMBL1786899, CTK4D0797, KS-00003QZT, DTXSID60627055, CDGNBOWOOHEOEK-UHFFFAOYSA-N, ZX-AP004236, 8159AA, MFCD08458134, PC9307, ZINC12957486, AKOS016009566, 4-Cyano-2-(trifluoromethyl)iodobenzene, AM61336, CS-W009967, FCH1325371, MCULE-5742796579, NE13941, PS-7151, TRA0037585, 3-(trifluoromethyl)-4-iodo benzonitrile, AJ-63292, AK-33534, Benzonitrile,4-iodo-3-(trifluoromethyl)-, AX8098083, DB-064392, RT-009726, FT-0692710, 4-Iodo-3-(trifluoromethyl)benzonitrile, 96%, A21194, J-009813, C8H3F3IN,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.926g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.019g/mol
Monoisotopic Mass	296.926g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number