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3-Chloroindole (Standard)

CAT: 0804-HY-65119R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-65119R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fenthion sulfone (Standard) is the analytical standard of Fenthion sulfone. This product is intended for research and analytical applications. Fenthion sulfone is an active compound.
CAS Number
16863-96-0
UNSPSC
12352005
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Smiles
ClC1=CNC2=C1C=CC=C2
Molecular Formula
C8H6ClN
Molecular Weight
151.60
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Chloro-1H-indole

3-Chloro-1H-indole has been reported in Ptychodera flava with data available.

CAS Number16863-96-0
PubChem CID177790
IUPAC Name3-chloro-1H-indole
Molecular FormulaC8H6ClN
Molecular Weight151.59
XLogP3.2
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(=CN2)Cl
InChI
InChI=1S/C8H6ClN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
GVSMQKKMAYLKMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-1H-indole
CAS: 16863-96-0
CID: 177790
Formula: C8H6ClN
MW: 151.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.59
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass151.0188769
Monoisotopic Mass151.0188769
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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