CAS 4028-63-1 | 2,4,6-Trimethyliodobenzene | CAS Number 4028-63-1

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4028-63-1 | 2,4,6-Trimethyliodobenzene

CAS No: 4028-63-1 Catalog No: AG0037VQ MDL No:MFCD00013707

Product Description

Catalog Number:

AG0037VQ

Chemical Name:

2,4,6-Trimethyliodobenzene

CAS Number:

4028-63-1

Molecular Formula:

C9H11I

Molecular Weight:

246.0881

MDL Number:

MFCD00013707

IUPAC Name:

2-iodo-1,3,5-trimethylbenzene

InChI:

InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

InChI Key:

GTPNXFKONRIHRW-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c(c(c1)C)I

EC Number:

223-709-9

NSC Number:

68044

Properties

Complexity:

99.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.091g/mol

Monoisotopic Mass:

245.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
A catalytic version of hypervalent aryl-λ3-iodane-induced Hofmann rearrangement of primary carboxamides: iodobenzene as an organocatalyst and m-chloroperbenzoic acid as a terminal oxidant.	Chemical communications (Cambridge, England) 20120125
Iodomesitylene-catalyzed oxidative cleavage of carbon-carbon double and triple bonds using m-chloroperbenzoic acid as a terminal oxidant.	Journal of the American Chemical Society 20090204