Home Other Building Blocks 2-[(4-fluorophenyl)sulfanyl]cyclohexan-1-one

2-[(4-fluorophenyl)sulfanyl]cyclohexan-1-one

CAS No.:
1044049-41-3
Catalog Number:
AG01BVBO
Molecular Formula:
C12H13FOS
Molecular Weight:
224.2944
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BVBO
Chemical Name:
2-[(4-fluorophenyl)sulfanyl]cyclohexan-1-one
CAS Number:
1044049-41-3
Molecular Formula:
C12H13FOS
Molecular Weight:
224.2944
MDL Number:
MFCD12145386
IUPAC Name:
2-(4-fluorophenyl)sulfanylcyclohexan-1-one
InChI:
InChI=1S/C12H13FOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,12H,1-4H2
InChI Key:
PXGULRCPZMXZAE-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Sc1ccc(cc1)F
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.293g/mol
Monoisotopic Mass:
224.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties