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2-Bromopyridine-5-Carbaldehyde

CAT: 1489-B1100-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:1489-B1100-01Size:5 g
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CAS Number
149806-06-4
Purity
0.98

Chemical Information

6-Bromo-3-pyridinecarboxaldehyde
CAS Number149806-06-4
PubChem CID11769234
IUPAC Name6-bromopyridine-3-carbaldehyde
Molecular FormulaC6H4BrNO
Molecular Weight186.01
XLogP1.3
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C1=CC(=NC=C1C=O)Br
InChI
InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKey
PVUKGNBRJFTFNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-3-pyridinecarboxaldehyde
CAS: 149806-06-4
CID: 11769234
Formula: C6H4BrNO
MW: 186.01
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.01
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass184.94763
Monoisotopic Mass184.94763
Topological Polar Surface Area30 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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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