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2-Bromo-4-fluoroanisole

CAT: 0931-TYD-00096-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00096-01Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
452-08-4
Bioactivity
2-Bromo-4-fluoroanisole is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
COC1=C(Br)C=C(F)C=C1
Molecular Formula
C7H6BrFO
Molecular Weight
205.024
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromo-4-fluoroanisole
CAS Number452-08-4
PubChem CID136292
IUPAC Name2-bromo-4-fluoro-1-methoxybenzene
Molecular FormulaC7H6BrFO
Molecular Weight205.02
XLogP2.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
COC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
InChIKey
JIQXVIJARQLCOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-fluoroanisole
CAS: 452-08-4
CID: 136292
Formula: C7H6BrFO
MW: 205.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.02
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass203.95861
Monoisotopic Mass203.95861
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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