Home Other Building Blocks 1-(4-fluorophenyl)-3-methylbutan-2-one

1-(4-fluorophenyl)-3-methylbutan-2-one

CAS No.:
124258-25-9
Catalog Number:
AG019SCJ
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
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Product Description
Catalog Number:
AG019SCJ
Chemical Name:
1-(4-fluorophenyl)-3-methylbutan-2-one
CAS Number:
124258-25-9
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
MDL Number:
MFCD11934894
IUPAC Name:
1-(4-fluorophenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C11H13FO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
JPHJGAJIOXBGCU-UHFFFAOYSA-N
SMILES:
CC(C(=O)Cc1ccc(cc1)F)C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties