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2,4,6-Trichloronicotinaldehyde

CAT: 0926-LAC26966-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-LAC26966-01Size:5 g
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CAS Number
1261269-66-2
MDL Number
MFCD17012148
Smiles
C1=C (C (=C (N=C1Cl) Cl) C=O) Cl
Molecular Formula
C6H2Cl3NO
Molecular Weight
210.45 g/mol
Controlled
No

Chemical Information

2,4,6-Trichloropyridine-3-carbaldehyde
CAS Number1261269-66-2
PubChem CID20249151
IUPAC Name2,4,6-trichloropyridine-3-carbaldehyde
Molecular FormulaC6H2Cl3NO
Molecular Weight210.4
XLogP2.9
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(N=C1Cl)Cl)C=O)Cl
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-5(8)10-6(9)3(4)2-11/h1-2H
InChIKey
RESMQRUOHBZJCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trichloropyridine-3-carbaldehyde
CAS: 1261269-66-2
CID: 20249151
Formula: C6H2Cl3NO
MW: 210.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.4
XLogP32.9
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