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5-Bromo-2-chloro-3-nitropyridine

CAT: 0013-GTR19245783-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245783-01Size:50 g
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Description
5-Bromo-2-chloro-3-nitropyridine is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
67443-38-3
Smiles
ClC1=C (C=C (Br) C=N1) [N+] ([O-]) =O
Molecular Formula
C5H2BrClN2O2
Molecular Weight
237.439
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Bromo-2-chloro-3-nitropyridine
CAS Number67443-38-3
PubChem CID7019412
IUPAC Name5-bromo-2-chloro-3-nitropyridine
Molecular FormulaC5H2BrClN2O2
Molecular Weight237.44
XLogP2.3
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
InChIKey
WWQQPSDIIVXFOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-chloro-3-nitropyridine
CAS: 67443-38-3
CID: 7019412
Formula: C5H2BrClN2O2
MW: 237.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.44
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass235.89882
Monoisotopic Mass235.89882
Topological Polar Surface Area58.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
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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