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6-Bromopyridine-3-carboxaldehyde

CAT: 0572-TRC-B686763-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686763-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149806-06-4
Hazard Statement
No Data Available
Smiles
Brc1ccc(C=O)cn1
Molecular Formula
C6 H4 Br N O
Molecular Weight
186.01
InChI
InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
Additionnal Information
IUPAC name: 6-bromopyridine-3-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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
Loading 3D structure...
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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