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Furanone C-30

CAT: 0862-GW3446-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0862-GW3446-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
247167-54-0
Purity
97.00%
Molecular Formula
C5H2Br2O2
Molecular Weight
253.88
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

4-Bromo-5-(Bromomethylene)Furan-2(5H)-One
CAS Number247167-54-0
PubChem CID10131246
IUPAC Name(5Z)-4-bromo-5-(bromomethylidene)furan-2-one
Molecular FormulaC5H2Br2O2
Molecular Weight253.88
XLogP1.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity205
SMILES
C1=C(/C(=C/Br)/OC1=O)Br
InChI
InChI=1S/C5H2Br2O2/c6-2-4-3(7)1-5(8)9-4/h1-2H/b4-2-
InChIKey
DPGLBHQUHFJRJS-RQOWECAXSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-5-(Bromomethylene)Furan-2(5H)-One
CAS: 247167-54-0
CID: 10131246
Formula: C5H2Br2O2
MW: 253.88
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight253.88
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass253.84011
Monoisotopic Mass251.84215
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes