AG001UBX

163704-47-0 | Benzene, 2-iodo-1,3-bis(1-methylethyl)-

AG001UBX

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CAS Number	163704-47-0
Catalog Number	AG001UBX(AGN-PC-0MVSIE)
Chemical Name	Benzene, 2-iodo-1,3-bis(1-methylethyl)-
IUPAC Name	2-iodo-1,3-di(propan-2-yl)benzene
InChI	InChI=1S/C12H17I/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChI Key	AZYZPYVCTLOROS-UHFFFAOYSA-N
MDL Number	MFCD12547790
Molecular Formula	C12H17I
Molecular Weight	288.1678
SMILES	CC(C)C1=CC=CC(C(C)C)=C1I
Synonyms	163704-47-0, 2-Iodo-1,3-diisopropylbenzene, 2,6-Diisopropyliodobenzene, Benzene, 2-iodo-1,3-bis(1-methylethyl)-, 2-iodo-1,3-di(propan-2-yl)benzene, 2, 6-diisopropylphenyl iodide, 1,3-Diisopropyl-2-iodobenzene, 1-iodo-2,6-diisopropylbenzene, SCHEMBL2593118, CTK8C2009, KS-00000DCN, DTXSID30432936, AZYZPYVCTLOROS-UHFFFAOYSA-N, ZINC1493639, 8317AA, ANW-67618, MFCD12547790, AKOS016006717, FCH1367359, TRA0064017, AJ-26349, CS-11653, DA-09573, SY027407, AX8226137, TC-156363, FT-0724502, Z-3727, MFCD12547790 (95+%), C12H17I, 2-iodo-1,3-dipropan-2-yl-benzene, ACN-048895, CID9925960,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.037g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	288.172g/mol
Monoisotopic Mass	288.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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