AG00345V

5122-20-3 | 5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

AG00345V

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CAS Number	5122-20-3
Catalog Number	AG00345V(AGN-PC-0KKAB2)
Chemical Name	5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene
IUPAC Name	5-tert-butyl-2-iodo-1,3-dimethylbenzene
InChI	InChI=1S/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3
InChI Key	SCKWYPTZVFBKKW-UHFFFAOYSA-N
MDL Number	MFCD00052173
Molecular Formula	C12H17I
Molecular Weight	288.1678
SMILES	C(C)(C)(C)C=1C=C(C(=C(C1)C)I)C
Synonyms	5122-20-3, 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE, 5-tert-butyl-2-iodo-1,3-dimethylbenzene, 5-tert-Butyl-2-iodo-m-xylene, MFCD00052173, Maybridge4_003980, ACMC-20am7p, AC1Q2GWT, AC1MCB95, SCHEMBL1517227, CTK4J3869, DTXSID30372348, HMS1532E20, ZINC1039555, ZX-RL004611, SBB054233, 4-tert-Butyl-2,6-dimethyliodobenzene, 5-(tert-Butyl)-2-iodo-1,3-dimeth, AKOS025116814, ACM5122203, FCH1323356, MCULE-9480402100, VZ29957, IDI1_032802, BP-11271, CC-20834, OR110132, DB-051926, TC-168460, 5-Tert-Butyl-2-Iodo-1,3-DiMethyl-Benzene, FT-0635548, C-18117, Benzene,5-(1,1-dimethylethyl)-2-iodo-1,3-dimethyl-, C12H17I, CID2739988,

Complexity	157
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	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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