AG004J2N

868166-20-5 | BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-

AG004J2N

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CAS Number	868166-20-5
Catalog Number	AG004J2N(AGN-PC-09RE1T)
Chemical Name	BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-
IUPAC Name	2-iodo-5-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F3IN/c9-8(10,11)6-1-2-7(12)5(3-6)4-13/h1-3H
InChI Key	KSPKCPNOVAIBEE-UHFFFAOYSA-N
MDL Number	MFCD18398159
Molecular Formula	C8H3F3IN
Molecular Weight	297.0158
SMILES	N#CC1=CC(C(F)(F)F)=CC=C1I
Synonyms	2-iodo-5-(trifluoromethyl)benzonitrile, 868166-20-5, BENZONITRILE, 2-IODO-5-(TRIFLUOROMETHYL)-, SCHEMBL531358, CTK5F7223, DTXSID30693641, KSPKCPNOVAIBEE-UHFFFAOYSA-N, 1061AF, CL8986, MFCD18398159, ZINC77024664, AKOS025403881, FCH1372461, AS-10074, DA-02268, CS-0006986, FT-0703237, EN300-224449, C8H3F3IN, 5-(Trifluoromethyl)-2-iodobenzonitrile,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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