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2’-Bromo-5’-fluoro-3’-iodoacetophenone

CAT: 0127-PC502263Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC502263Size:1 Each
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CAS Number
2091679-78-4
MDL Number
MFCD30730318
Purity
=95%
Smiles
CC(=O)c1cc(F)cc(I)c1Br

Chemical Information

2'-Bromo-5'-fluoro-3'-iodoacetophenone
CAS Number2091679-78-4
PubChem CID131366420
IUPAC Name1-(2-bromo-5-fluoro-3-iodophenyl)ethanone
Molecular FormulaC8H5BrFIO
Molecular Weight342.93
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
CC(=O)C1=C(C(=CC(=C1)F)I)Br
InChI
InChI=1S/C8H5BrFIO/c1-4(12)6-2-5(10)3-7(11)8(6)9/h2-3H,1H3
InChIKey
IHNOYBAGKKCLET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Bromo-5'-fluoro-3'-iodoacetophenone
CAS: 2091679-78-4
CID: 131366420
Formula: C8H5BrFIO
MW: 342.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.93
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass341.85525
Monoisotopic Mass341.85525
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
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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