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4'-Fluoro-2'-hydroxyacetophenone

CAT: 0926-FF36776-04Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FF36776-04Size:0.1 Kg
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CAS Number
1481-27-2
MDL Number
MFCD00143203
Smiles
CC (=O) C1=C (C=C (C=C1) F) O
Molecular Formula
C8H7FO2
Molecular Weight
154.14 g/mol
Controlled
No

Chemical Information

4'-Fluoro-2'-hydroxyacetophenone
CAS Number1481-27-2
PubChem CID2737326
IUPAC Name1-(4-fluoro-2-hydroxyphenyl)ethanone
Molecular FormulaC8H7FO2
Molecular Weight154.14
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC(=O)C1=C(C=C(C=C1)F)O
InChI
InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3
InChIKey
HLTBTUXAMVOKIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Fluoro-2'-hydroxyacetophenone
CAS: 1481-27-2
CID: 2737326
Formula: C8H7FO2
MW: 154.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.14
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass154.04300762
Monoisotopic Mass154.04300762
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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