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

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

CAS No.:
1017409-06-1
Catalog Number:
AG01AJ3T
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
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Product Description
Catalog Number:
AG01AJ3T
Chemical Name:
3-(4-fluorophenyl)-3-methylbutan-2-one
CAS Number:
1017409-06-1
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
MDL Number:
MFCD09904319
IUPAC Name:
3-(4-fluorophenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C11H13FO/c1-8(13)11(2,3)9-4-6-10(12)7-5-9/h4-7H,1-3H3
InChI Key:
PJEFKCZOMFPUIE-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccc(cc1)F)(C)C
Properties
Complexity:
190  
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:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties