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2’,6’-Dichloro-4’-fluoroacetophenone

CAT: 0127-PC502277Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC502277Size:1 Each
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CAS Number
1804886-00-7
MDL Number
MFCD28346568
Purity
=95%
Smiles
CC(=O)c1c(Cl)cc(F)cc1Cl

Chemical Information

2',6'-Dichloro-4'-fluoroacetophenone
CAS Number1804886-00-7
PubChem CID102013406
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)ethanone
Molecular FormulaC8H5Cl2FO
Molecular Weight207.03
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
CC(=O)C1=C(C=C(C=C1Cl)F)Cl
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)8-6(9)2-5(11)3-7(8)10/h2-3H,1H3
InChIKey
WTXSYCNEEKTVDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',6'-Dichloro-4'-fluoroacetophenone
CAS: 1804886-00-7
CID: 102013406
Formula: C8H5Cl2FO
MW: 207.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.03
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass205.9701483
Monoisotopic Mass205.9701483
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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
sc-2312692',6'-Dichloro-3'-fluoroacetophenone
sc-2312602',3'-Dichloro-6'-fluoroacetophenone
2735082',4'-Dichloro-5'-fluoroacetophenone
sc-2878472-Bromo-2',6'-dichloro-3'-fluoroacetophenone
231092-012',4'-Dichloro-5'-fluoroacetophenone 99+% (GC)
421068-012'-Chloro-6'-fluoroacetophenone
HY-W008598-012-Bromo-4'-fluoroacetophenone
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421063-012'-Chloro-4'-fluoroacetophenone
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