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3,4,5-Trichloropyridine

CAT: 0931-TYD-00282-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00282-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33216-52-3
Bioactivity
3,4,5-Trichloropyridine 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
C1=NC=C(C(=C1Cl)Cl)Cl
Molecular Formula
C5H2Cl3N
Molecular Weight
182.435
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4,5-Trichloropyridine
CAS Number33216-52-3
PubChem CID3786531
IUPAC Name3,4,5-trichloropyridine
Molecular FormulaC5H2Cl3N
Molecular Weight182.43
XLogP2.7
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity88
SMILES
C1=C(C(=C(C=N1)Cl)Cl)Cl
InChI
InChI=1S/C5H2Cl3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
KKWRVUBDCJQHBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trichloropyridine
CAS: 33216-52-3
CID: 3786531
Formula: C5H2Cl3N
MW: 182.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.43
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass180.925282
Monoisotopic Mass180.925282
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.2
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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