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4-Fluoro-3-methylacetophenone

CAT: 0024-sc-483938Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-483938Size:1 g
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CAS Number
369-32-4

Chemical Information

1-(4-Fluoro-3-methylphenyl)ethan-1-one
CAS Number369-32-4
PubChem CID289328
IUPAC Name1-(4-fluoro-3-methylphenyl)ethanone
Molecular FormulaC9H9FO
Molecular Weight152.16
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
CC1=C(C=CC(=C1)C(=O)C)F
InChI
InChI=1S/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3
InChIKey
SMSVMBMJEYTUOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluoro-3-methylphenyl)ethan-1-one
CAS: 369-32-4
CID: 289328
Formula: C9H9FO
MW: 152.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.16
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass152.063743068
Monoisotopic Mass152.063743068
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
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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PC5942-012'-Fluoro-4'-methylacetophenone
PC5012073'-Fluoro-5'-iodo-4'-methylacetophenone
PC48390-012'-Fluoro-3'-methylacetophenone
PC302555-013'-Fluoro-5'-methylacetophenone
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