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3-Bromo-5-nitropyridine

CAT: 0024-sc-473891Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-473891Size:250 mg
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CAS Number
15862-30-3

Chemical Information

3-Bromo-5-nitropyridine
CAS Number15862-30-3
PubChem CID2762898
IUPAC Name3-bromo-5-nitropyridine
Molecular FormulaC5H3BrN2O2
Molecular Weight202.99
XLogP1.4
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=C(C=NC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C5H3BrN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey
WHYJVHQKKJHXTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-5-nitropyridine
CAS: 15862-30-3
CID: 2762898
Formula: C5H3BrN2O2
MW: 202.99
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight202.99
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass201.93779
Monoisotopic Mass201.93779
Topological Polar Surface Area58.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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