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2'-Fluoro-4'-iodoacetophenone

CAT: 0127-PC56172Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC56172Size:1 Each
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CAS Number
249291-84-7
Synonyms
1- (2-fluoro-4-iodophenyl) ethanone
MDL Number
MFCD15527699
Purity
=95%
Smiles
CC(=O)c1ccc(I)cc1F

Chemical Information

2'-Fluoro-4'-iodoacetophenone
CAS Number249291-84-7
PubChem CID53415454
IUPAC Name1-(2-fluoro-4-iodophenyl)ethanone
Molecular FormulaC8H6FIO
Molecular Weight264.03
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=C(C=C1)I)F
InChI
InChI=1S/C8H6FIO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3
InChIKey
SEMUQJWHNCAIRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Fluoro-4'-iodoacetophenone
CAS: 249291-84-7
CID: 53415454
Formula: C8H6FIO
MW: 264.03
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.03
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass263.94474
Monoisotopic Mass263.94474
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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