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3'-Bromo-4'-fluoroacetophenone

CAT: 0024-sc-223575Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-223575Size:5 g
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CAS Number
1007-15-4

Chemical Information

1-(3-Bromo-4-fluorophenyl)ethan-1-one
CAS Number1007-15-4
PubChem CID70508
IUPAC Name1-(3-bromo-4-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=CC(=C(C=C1)F)Br
InChI
InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChIKey
SZDWTGAORQQQGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromo-4-fluorophenyl)ethan-1-one
CAS: 1007-15-4
CID: 70508
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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Alternative Products

CatalogName
PC1396C-013'-Bromo-4'-fluoroacetophenone
PC501320-014’-Bromo-3’-fluoroacetophenone
HY-W008598-012-Bromo-4'-fluoroacetophenone
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TRC-B684615-10G2-Bromo-4’-fluoroacetophenone
PC1396B-012'-Bromo-4'-fluoroacetophenone
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