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2- (2,2,2-Trifluoroethoxy) acetophenone

CAT: 0127-PC500837Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1157164-48-1
MDL Number
MFCD12062609
Purity
=95%
Smiles
FC(F)(F)COCC(=O)c1ccccc1

Chemical Information

2-(2,2,2-Trifluoroethoxy)acetophenone
CAS Number1157164-48-1
PubChem CID43799464
IUPAC Name1-phenyl-2-(2,2,2-trifluoroethoxy)ethanone
Molecular FormulaC10H9F3O2
Molecular Weight218.17
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
C1=CC=C(C=C1)C(=O)COCC(F)(F)F
InChI
InChI=1S/C10H9F3O2/c11-10(12,13)7-15-6-9(14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JIDCBOBNGAZMLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,2,2-Trifluoroethoxy)acetophenone
CAS: 1157164-48-1
CID: 43799464
Formula: C10H9F3O2
MW: 218.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.17
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass218.05546401
Monoisotopic Mass218.05546401
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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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CatalogName
TRC-C463410-100MG2-(2-Chlorobenzoyloxy)acetophenone
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