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3,6-Dibromopicolinaldehyde

CAT: 0127-OR86571-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR86571-01Size:100 mg
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CAS Number
1215183-85-9
MDL Number
MFCD16250664
Purity
96%
Smiles
O=CC1=NC(Br)=CC=C1Br

Chemical Information

3,6-Dibromopyridine-2-carbaldehyde
CAS Number1215183-85-9
PubChem CID59268909
IUPAC Name3,6-dibromopyridine-2-carbaldehyde
Molecular FormulaC6H3Br2NO
Molecular Weight264.90
XLogP2.4
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC(=NC(=C1Br)C=O)Br
InChI
InChI=1S/C6H3Br2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKey
WGCZLYPDOYEWIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dibromopyridine-2-carbaldehyde
CAS: 1215183-85-9
CID: 59268909
Formula: C6H3Br2NO
MW: 264.90
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.90
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass264.85609
Monoisotopic Mass262.85814
Topological Polar Surface Area30 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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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