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2,5,6-Trichloronicotinaldehyde

CAT: 0127-OR1057788-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057788-01Size:100 mg
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CAS Number
55304-74-0
MDL Number
MFCD17012145
Purity
97%
Smiles
O=CC1=C(Cl)N=C(Cl)C(Cl)=C1

Chemical Information

2,5,6-Trichloropyridine-3-carboxaldehyde
CAS Number55304-74-0
PubChem CID12259385
IUPAC Name2,5,6-trichloropyridine-3-carbaldehyde
Molecular FormulaC6H2Cl3NO
Molecular Weight210.4
XLogP2.2
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(=NC(=C1Cl)Cl)Cl)C=O
InChI
InChI=1S/C6H2Cl3NO/c7-4-1-3(2-11)5(8)10-6(4)9/h1-2H
InChIKey
FYEABNUOUCLNEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5,6-Trichloropyridine-3-carboxaldehyde
CAS: 55304-74-0
CID: 12259385
Formula: C6H2Cl3NO
MW: 210.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.4
XLogP32.2
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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AAA356405,5,6,6,6-Pentafluorohexane-2,4-dione
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