Home Other Building Blocks 2-(3,4,5-trifluorophenyl)cyclohexanone

2-(3,4,5-trifluorophenyl)cyclohexanone

CAS No.:
1172639-14-3
Catalog Number:
AG01CADI
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
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Product Description
Catalog Number:
AG01CADI
Chemical Name:
2-(3,4,5-trifluorophenyl)cyclohexanone
CAS Number:
1172639-14-3
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
MDL Number:
MFCD22542761
IUPAC Name:
2-(3,4,5-trifluorophenyl)cyclohexan-1-one
InChI:
InChI=1S/C12H11F3O/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h5-6,8H,1-4H2
InChI Key:
UUYBOSTZSMQZDL-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1cc(F)c(c(c1)F)F
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.214g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties