Products for Research Use Only

3,5-Dimethoxyiodobenzene

CAT: 0572-TRC-D460640-1GSize: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D460640-1GSize:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
25245-27-6
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COc1cc(I)cc(OC)c1
Molecular Formula
C8 H9 I O2
Molecular Weight
264.06
InChI
InChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
Additionnal Information
IUPAC name: 1-iodo-3,5-dimethoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Iodo-3,5-dimethoxybenzene
CAS Number25245-27-6
PubChem CID640179
IUPAC Name1-iodo-3,5-dimethoxybenzene
Molecular FormulaC8H9IO2
Molecular Weight264.06
XLogP2.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity107
SMILES
COC1=CC(=CC(=C1)I)OC
InChI
InChI=1S/C8H9IO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChIKey
MMOMUEFLZAHIAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Iodo-3,5-dimethoxybenzene
CAS: 25245-27-6
CID: 640179
Formula: C8H9IO2
MW: 264.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.06
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.96473
Monoisotopic Mass263.96473
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity107
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes