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3-Bromo-2-iodofuran

CAT: 0127-OR1093636-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1093636-01Size:250 mg
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CAS Number
72167-52-3
MDL Number
MFCD28680846
Purity
97%
Smiles
C1 (c (cco1) Br) I

Chemical Information

3-Bromo-2-iodofuran
CAS Number72167-52-3
PubChem CID12521510
IUPAC Name3-bromo-2-iodofuran
Molecular FormulaC4H2BrIO
Molecular Weight272.87
XLogP2.4
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
C1=COC(=C1Br)I
InChI
InChI=1S/C4H2BrIO/c5-3-1-2-7-4(3)6/h1-2H
InChIKey
HTSODYWNVCMVCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-2-iodofuran
CAS: 72167-52-3
CID: 12521510
Formula: C4H2BrIO
MW: 272.87
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.87
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass271.83337
Monoisotopic Mass271.83337
Topological Polar Surface Area13.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.7
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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