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2-Bromo-3-fluoropyridine

CAT: 0127-PC8846-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC8846-01Size:5 g
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CAS Number
40273-45-8
MDL Number
MFCD04114128
Purity
98%
Smiles
Fc1cccnc1Br

Chemical Information

2-Bromo-3-fluoropyridine
CAS Number40273-45-8
PubChem CID2762803
IUPAC Name2-bromo-3-fluoropyridine
Molecular FormulaC5H3BrFN
Molecular Weight175.99
XLogP2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
C1=CC(=C(N=C1)Br)F
InChI
InChI=1S/C5H3BrFN/c6-5-4(7)2-1-3-8-5/h1-3H
InChIKey
IFGLECYAEGYLSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-fluoropyridine
CAS: 40273-45-8
CID: 2762803
Formula: C5H3BrFN
MW: 175.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight175.99
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass174.94329
Monoisotopic Mass174.94329
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.8
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