AG003HGZ

40400-15-5 | 2-(2-Iodophenyl)acetonitrile

AG003HGZ

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CAS Number	40400-15-5
Catalog Number	AG003HGZ(AGN-PC-0LAI8Y)
Chemical Name	2-(2-Iodophenyl)acetonitrile
IUPAC Name	2-(2-iodophenyl)acetonitrile
InChI	InChI=1S/C8H6IN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChI Key	FPSGTRJUQLYLHE-UHFFFAOYSA-N
MDL Number	MFCD00040888
Molecular Formula	C8H6IN
Molecular Weight	243.0444
SMILES	N#CCC1=CC=CC=C1I
Synonyms	2-Iodophenylacetonitrile, 2-(2-iodophenyl)acetonitrile, 40400-15-5, 2-Iodobenzyl cyanide, o-IODOPHENYLACETONITRILE, Benzeneacetonitrile, 2-iodo-, FPSGTRJUQLYLHE-UHFFFAOYSA-N, MFCD00040888, AK-54651, o-Iodobenzyl cyanide, ACMC-20a7xu, 2-iodo-phenylacetonitrile, AC1N8YVL, AC1Q4P6O, (2-iodo-phenyl)-acetonitrile, SCHEMBL533864, 2-(2-iodophenyl)ethanenitrile, 2-Iodophenylacetonitrile, 97%, CTK3J7935, DTXSID40402882, ZINC157004, ANW-61216, AKOS007930487, AM83168, AS01645, FCH1320148, MCULE-9121129216, VZ34713, AJ-14843, AS-18805, SC-15012, ZB006509, AB0030464, AX8033597, RT-004096, CS-0041514, FT-0612686, ST24039203, ST51016211, X2662, C-54562, I01-2579, C8H6IN, ZINC00157004, CID4402282,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.954g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.047g/mol
Monoisotopic Mass	242.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number