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3-Fluoropropiophenone

CAT: 0572-TRC-F595600-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F595600-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
455-67-4
Synonyms
1-(3-Fluorophenyl)-1-propanone; 3'-Fluoropropiophenone; 1-(3-Fluorophenyl)propan-1-one; Ethyl m-Fluorophenyl Ketone; m-Fluoropropiophenone;
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CCC(=O)c1cccc(F)c1
Molecular Formula
C9H9FO
Molecular Weight
152.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3'-Fluoropropiophenone
CAS Number455-67-4
PubChem CID521183
IUPAC Name1-(3-fluorophenyl)propan-1-one
Molecular FormulaC9H9FO
Molecular Weight152.16
XLogP2.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CCC(=O)C1=CC(=CC=C1)F
InChI
InChI=1S/C9H9FO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey
RPMOHVRRKYJFSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Fluoropropiophenone
CAS: 455-67-4
CID: 521183
Formula: C9H9FO
MW: 152.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.063743068
Monoisotopic Mass152.063743068
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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