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3'-Chloro-5'-iodoacetophenone

CAT: 0127-OR400234-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR400234-01Size:250 mg
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CAS Number
1393541-65-5
MDL Number
MFCD22544392
Purity
95%
Smiles
CC(=O)c1cc(Cl)cc(I)c1

Chemical Information

3'-Chloro-5'-iodoacetophenone
CAS Number1393541-65-5
PubChem CID72214865
IUPAC Name1-(3-chloro-5-iodophenyl)ethanone
Molecular FormulaC8H6ClIO
Molecular Weight280.49
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(=CC(=C1)I)Cl
InChI
InChI=1S/C8H6ClIO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChIKey
IRKUTZTWXQGTPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Chloro-5'-iodoacetophenone
CAS: 1393541-65-5
CID: 72214865
Formula: C8H6ClIO
MW: 280.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.49
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass279.91519
Monoisotopic Mass279.91519
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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