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2-Fluoro-4-acetamidoacetophenone

CAT: 0572-TRC-F586000-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F586000-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112279-55-7
Synonyms
N-(4-Acetyl-3-fluorophenyl)acetamide; 2-Fluoro-4-acetamidoacetophenone;2-Fluoro-4-acetamidoacetophenone
Hazard Statement
No Data Available
Smiles
O=C(NC1=CC=C(C(C)=O)C(F)=C1)C
Molecular Formula
C10H10FNO2
Molecular Weight
195.19
InChI
InChI=1S/C10H10FNO2/c1-6(13)9-4-3-8(5-10(9)11)12-7(2)14/h3-5H,1-2H3,(H,12,14)
Additionnal Information
IUPAC name: N-(4-acetyl-3-fluorophenyl)acetamide
Shipping Conditions
Room Temperature

Chemical Information

N-(4-Acetyl-3-fluorophenyl)acetamide
CAS Number112279-55-7
PubChem CID14621109
IUPAC NameN-(4-acetyl-3-fluorophenyl)acetamide
Molecular FormulaC10H10FNO2
Molecular Weight195.19
XLogP0.9
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity242
SMILES
CC(=O)C1=C(C=C(C=C1)NC(=O)C)F
InChI
InChI=1S/C10H10FNO2/c1-6(13)9-4-3-8(5-10(9)11)12-7(2)14/h3-5H,1-2H3,(H,12,14)
InChIKey
UIGNOZXFBHBXCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Acetyl-3-fluorophenyl)acetamide
CAS: 112279-55-7
CID: 14621109
Formula: C10H10FNO2
MW: 195.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.19
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass195.06955672
Monoisotopic Mass195.06955672
Topological Polar Surface Area46.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity242
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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