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4-Iodopyrazole

CAT: 0931-TYD-00507-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00507-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3469-69-0
Bioactivity
4-Iodopyrazole is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
IC1=CNN=C1
Molecular Formula
C3H3IN2
Molecular Weight
193.9738
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Iodopyrazole

4-iodopyrazole is a member of pyrazoles and an organoiodine compound.

CAS Number3469-69-0
PubChem CID77022
IUPAC Name4-iodo-1H-pyrazole
Molecular FormulaC3H3IN2
Molecular Weight193.97
XLogP1.7
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C1=C(C=NN1)I
InChI
InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey
LLNQWPTUJJYTTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Iodopyrazole
CAS: 3469-69-0
CID: 77022
Formula: C3H3IN2
MW: 193.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.97
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass193.93410
Monoisotopic Mass193.93410
Topological Polar Surface Area28.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity48.1
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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