AG001T12

162358-07-8 | 1-(2-Iodoethyl)-4-octylbenzene

AG001T12

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CAS Number	162358-07-8
Catalog Number	AG001T12(AGN-PC-0N6BOJ)
Chemical Name	1-(2-Iodoethyl)-4-octylbenzene
IUPAC Name	1-(2-iodoethyl)-4-octylbenzene
InChI	InChI=1S/C16H25I/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12H,2-8,13-14H2,1H3
InChI Key	YURZVKRFVMTWMC-UHFFFAOYSA-N
MDL Number	MFCD09753530
Molecular Formula	C16H25I
Molecular Weight	344.2742
SMILES	ICCC1=CC=C(C=C1)CCCCCCCC
Synonyms	1-(2-Iodoethyl)-4-octylbenzene, 162358-07-8, 2-(4-OCTYLPHENYL)-1-IODOETHANE, 2-(4-octylphenyl)ethyl iodide, Benzene, 1-(2-iodoethyl)-4-octyl-, AK-97059, 4-Octylphenethyl iodide, SCHEMBL4254717, CTK6D8249, C16H25I, DTXSID60441591, YURZVKRFVMTWMC-UHFFFAOYSA-N, 1-(2-Iodoethyl)-4-octyl-benzene, BCP15346, 8234AA, ANW-66776, MFCD09753530, ZINC72400232, AKOS016007566, ACM162358078, DS-18616, AX8237394, RT-007150, ST2403111, 4CH-019075, FT-0673248, J-009928, 1-[4-(2-iodoethyl)phenyl]octane, ACN-039791, CID10545362,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	344.28g/mol
Monoisotopic Mass	344.1g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number