6-Iodoquinoxaline

CAT: 0127-OR81226-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR81226-01Size:100 mg

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CAS Number

50998-18-0

MDL Number

MFCD09261141

Purity

98%

Smiles

IC1=CC=C2N=CC=NC2=C1

Chemical Information

6-Iodoquinoxaline

CAS Number	50998-18-0
PubChem CID	24271765
IUPAC Name	6-iodoquinoxaline
Molecular Formula	C8H5IN2
Molecular Weight	256.04
XLogP	1.9
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

C1=CC2=NC=CN=C2C=C1I

InChI

InChI=1S/C8H5IN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H

InChIKey

NWQDPVJVUFEWLG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50998-18-0

CID: 24271765

Formula: C8H5IN2

MW: 256.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.04
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	255.94975
Monoisotopic Mass	255.94975
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
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

Catalog	Name
LBA85692-01	2-Iodoquinoxaline
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AAA76464-01	6,6,6-Trifluorohexanoic acid
H211306	Hexanenitrile-6,6,6-d3
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TRC-S697002-5MG	Sucrose-1,1,6,6,6’,6’-d6
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