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5-Bromo-2,3-dichloropyridine

CAT: 0572-TRC-B691198-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B691198-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97966-00-2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Clc1cc(Br)cnc1Cl
Molecular Formula
C5 H2 Br Cl2 N
Molecular Weight
226.886
InChI
InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
Additionnal Information
IUPAC name: 5-bromo-2,3-dichloropyridine
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

5-Bromo-2,3-dichloropyridine
CAS Number97966-00-2
PubChem CID12747760
IUPAC Name5-bromo-2,3-dichloropyridine
Molecular FormulaC5H2BrCl2N
Molecular Weight226.88
XLogP3.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1=C(C=NC(=C1Cl)Cl)Br
InChI
InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
XWSCOGPKWVNQSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2,3-dichloropyridine
CAS: 97966-00-2
CID: 12747760
Formula: C5H2BrCl2N
MW: 226.88
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.88
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass224.87477
Monoisotopic Mass224.87477
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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