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3,4-Dibromopyridine

CAT: 0024-sc-299124ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-299124ASize:25 g
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CAS Number
13534-90-2

Chemical Information

3,4-Dibromopyridine
CAS Number13534-90-2
PubChem CID817106
IUPAC Name3,4-dibromopyridine
Molecular FormulaC5H3Br2N
Molecular Weight236.89
XLogP2.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
C1=CN=CC(=C1Br)Br
InChI
InChI=1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
ZFZWZGANFCWADD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dibromopyridine
CAS: 13534-90-2
CID: 817106
Formula: C5H3Br2N
MW: 236.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.89
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass236.86117
Monoisotopic Mass234.86322
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.8
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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