Home Other Building Blocks 1-(4-fluorophenyl)but-3-en-1-one

1-(4-fluorophenyl)but-3-en-1-one

CAS No.:
61668-02-8
Catalog Number:
AG01AJGO
Molecular Formula:
C10H9FO
Molecular Weight:
164.1763
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Product Description
Catalog Number:
AG01AJGO
Chemical Name:
1-(4-fluorophenyl)but-3-en-1-one
CAS Number:
61668-02-8
Molecular Formula:
C10H9FO
Molecular Weight:
164.1763
MDL Number:
MFCD14653094
IUPAC Name:
1-(4-fluorophenyl)but-3-en-1-one
InChI:
InChI=1S/C10H9FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7H,1,3H2
InChI Key:
PXMFXMMTOGHPDF-UHFFFAOYSA-N
SMILES:
C=CCC(=O)c1ccc(cc1)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.179g/mol
Monoisotopic Mass:
164.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties