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2-bromo-4'-iodoacetophenone

CAT: 0024-sc-357534ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-357534ASize:5 g
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CAS Number
31827-94-8

Chemical Information

2-Bromo-1-(4-iodophenyl)ethanone
CAS Number31827-94-8
PubChem CID256572
IUPAC Name2-bromo-1-(4-iodophenyl)ethanone
Molecular FormulaC8H6BrIO
Molecular Weight324.94
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity141
SMILES
C1=CC(=CC=C1C(=O)CBr)I
InChI
InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FSIBMLJFLPWMTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1-(4-iodophenyl)ethanone
CAS: 31827-94-8
CID: 256572
Formula: C8H6BrIO
MW: 324.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.94
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass323.86467
Monoisotopic Mass323.86467
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity141
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
31827-94-82-Bromo-4'-iodoacetophenone
OR31027-012’-Bromo-4’-iodoacetophenone
OR400426-013'-Bromo-4'-iodoacetophenone
OR55348-014'-Bromo-3'-iodoacetophenone
PC5006122'-Bromo-3'-fluoro-4'-iodoacetophenone
PC500628-014'-Bromo-3'-fluoro-2'-iodoacetophenone
OR72293-015'-bromo-2'-chloro-4'-iodoacetophenone
OR4005232'-Bromo-3'-iodoacetophenone
OR72058-014'-Bromo-2'-chloro-5'-iodoacetophenone
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