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2,4,5-Trichloronicotinaldehyde

CAT: 0127-OR1004571Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1004571Size:1 g
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CAS Number
2222665-20-3
Purity
95%
Smiles
Clc1cnc(Cl)c(C=O)c1Cl

Chemical Information

2,4,5-Trichloronicotinaldehyde
CAS Number2222665-20-3
PubChem CID134453137
IUPAC Name2,4,5-trichloropyridine-3-carbaldehyde
Molecular FormulaC6H2Cl3NO
Molecular Weight210.4
XLogP2.5
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=C(C(=C(C(=N1)Cl)C=O)Cl)Cl
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H
InChIKey
DZJOELLDBCXMRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichloronicotinaldehyde
CAS: 2222665-20-3
CID: 134453137
Formula: C6H2Cl3NO
MW: 210.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass208.920197
Monoisotopic Mass208.920197
Topological Polar Surface Area30 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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CatalogName
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TRC-H265060-250MG2,2',3,4,4',5,5'-Heptachlorobiphenyl
sc-3110704,4'-Dimethoxy-2,2'5,5'-tetraacetoxybiphenyl
AR-B07325-012,2',3,4,4',5,5'-heptabromobiphenyl
JH9170984--5--2-
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