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2-Bromo-4-fluoro-5-nitropyridine

CAT: 0127-PC1007460-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1007460-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1805508-44-4
MDL Number
MFCD28740489
Purity
95%
Smiles
O=[N+](C1=CN=C(Br)C=C1F)[O-]

Chemical Information

2-Bromo-4-fluoro-5-nitropyridine
CAS Number1805508-44-4
PubChem CID119018016
IUPAC Name2-bromo-4-fluoro-5-nitropyridine
Molecular FormulaC5H2BrFN2O2
Molecular Weight220.98
XLogP1.8
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1=C(C(=CN=C1Br)[N+](=O)[O-])F
InChI
InChI=1S/C5H2BrFN2O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H
InChIKey
XWUYTDMBLBXXND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-fluoro-5-nitropyridine
CAS: 1805508-44-4
CID: 119018016
Formula: C5H2BrFN2O2
MW: 220.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.98
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass219.92837
Monoisotopic Mass219.92837
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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