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2-Iodoindole

CAT: 0572-TRC-I707390-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I707390-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26340-49-8
Hazard Statement
Causes skin irritation.
Smiles
Ic1cc2ccccc2[nH]1
Molecular Formula
C8 H6 I N
Molecular Weight
243.04
InChI
InChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
Additionnal Information
IUPAC name: 2-iodo-1H-indole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-iodo-1H-indole
CAS Number26340-49-8
PubChem CID11128498
IUPAC Name2-iodo-1H-indole
Molecular FormulaC8H6IN
Molecular Weight243.04
XLogP2.8
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC=C2C(=C1)C=C(N2)I
InChI
InChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
InChIKey
ZPIHHIRJUPXETJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-iodo-1H-indole
CAS: 26340-49-8
CID: 11128498
Formula: C8H6IN
MW: 243.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.04
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass242.95450
Monoisotopic Mass242.95450
Topological Polar Surface Area15.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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

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