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4'-Bromo-3'-iodoacetophenone

CAT: 0127-OR55348-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR55348-01Size:250 mg
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CAS Number
919124-08-6
Synonyms
1- (4-Bromo-3-iodophenyl) ethanone
MDL Number
MFCD18391612
Purity
95%
Smiles
CC(=O)c1ccc(Br)c(I)c1

Chemical Information

4'-Bromo-3'-iodoacetophenone
CAS Number919124-08-6
PubChem CID11991972
IUPAC Name1-(4-bromo-3-iodophenyl)ethanone
Molecular FormulaC8H6BrIO
Molecular Weight324.94
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
CC(=O)C1=CC(=C(C=C1)Br)I
InChI
InChI=1S/C8H6BrIO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
AJBPPIREFBJQPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Bromo-3'-iodoacetophenone
CAS: 919124-08-6
CID: 11991972
Formula: C8H6BrIO
MW: 324.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.94
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass323.86467
Monoisotopic Mass323.86467
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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