Iodobenzene diacetate

CAT: 0063-62191868-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0063-62191868-100gSize:100 g

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CAS Number

3240-34-4

Molecular Formula

C6H5I (O2CCH3) 2

Molecular Weight

322.1

Chemical Information

Iodobenzene diacetate

glycol-cleaving reagent used with amino alcohols in ring opening & Mannich base reactions; structure

CAS Number	3240-34-4
PubChem CID	76724
IUPAC Name	[acetyloxy(phenyl)-lambda3-iodanyl] acetate
Molecular Formula	C10H11IO4
Molecular Weight	322.10
XLogP	2.8
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	220

SMILES

CC(=O)OI(C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3

InChIKey

ZBIKORITPGTTGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3240-34-4

CID: 76724

Formula: C10H11IO4

MW: 322.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.10
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	321.97021
Monoisotopic Mass	321.97021
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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