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1- (5-Bromo-2-fluorophenyl) ethanone

CAT: 0013-GTR19246155-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246155-01Size:25 g
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Description
1- (5-Bromo-2-fluorophenyl) ethanone 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.
CAS Number
198477-89-3
Smiles
FC1=C (C (C) =O) C=C (Br) C=C1
Molecular Formula
C8H6BrFO
Molecular Weight
217.035
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(5-Bromo-2-fluorophenyl)ethanone
CAS Number198477-89-3
PubChem CID22607476
IUPAC Name1-(5-bromo-2-fluorophenyl)ethanone
Molecular FormulaC8H6BrFO
Molecular Weight217.03
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
CC(=O)C1=C(C=CC(=C1)Br)F
InChI
InChI=1S/C8H6BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey
XNRQIHIOKXQSPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-Bromo-2-fluorophenyl)ethanone
CAS: 198477-89-3
CID: 22607476
Formula: C8H6BrFO
MW: 217.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.03
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass215.95861
Monoisotopic Mass215.95861
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
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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