AG00IC17

702641-07-4 | [5-(Trifluoromethyl)-2-iodophenyl]acetonitrile

AG00IC17

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CAS Number	702641-07-4
Catalog Number	AG00IC17
Chemical Name	[5-(Trifluoromethyl)-2-iodophenyl]acetonitrile
IUPAC Name	2-[2-iodo-5-(trifluoromethyl)phenyl]acetonitrile
InChI	InChI=1S/C9H5F3IN/c10-9(11,12)7-1-2-8(13)6(5-7)3-4-14/h1-2,5H,3H2
InChI Key	RAWNVDVKSKEHCJ-UHFFFAOYSA-N
MDL Number	MFCD18398237
Molecular Formula	C9H5F3IN
Molecular Weight	311.0424
SMILES	N#CCC1=CC(C(F)(F)F)=CC=C1I
Synonyms	702641-07-4, 2-Iodo-5-(trifluoromethyl)phenylacetonitrile, [5-(Trifluoromethyl)-2-iodophenyl]acetonitrile, 2-(2-Iodo-5-(trifluoromethyl)phenyl)acetonitrile, SCHEMBL3827787, RAWNVDVKSKEHCJ-UHFFFAOYSA-N, MFCD18398237, ZINC149476659, 5-trifluoromethyl-2-iodophenylacetonitrile, AS-46401,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	310.942g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	311.046g/mol
Monoisotopic Mass	310.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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